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4979-32-2,MFCD00236063
Catalog No.:AA00I8TF

4979-32-2 | N,N-Dicyclohexyl-2-benzothiazolsulfene amide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
98%
in stock  
$42.00   $29.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00I8TF
Chemical Name:
N,N-Dicyclohexyl-2-benzothiazolsulfene amide
CAS Number:
4979-32-2
Molecular Formula:
C19H26N2S2
Molecular Weight:
346.5531
MDL Number:
MFCD00236063
SMILES:
C1CCC(CC1)N(C1CCCCC1)Sc1nc2c(s1)cccc2
Properties
Computed Properties
 
Complexity:
348  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
6.7  

Upstream Synthesis Route

[1]Patent:CN108586383,2018,A,.Locationinpatent:Paragraph0069-0075;0080;0087;0094;0101

[2]PhosphorusandSulfurandtheRelatedElements,1988,vol.35,p.311-318

[1]EuropeanJournalofMedicinalChemistry,2015,vol.93,p.423-430

[1]Patent:EP314663,1989,A1,

[1]JournalofOrganicChemistry,1978,vol.43,p.3223-3227

Downstream Synthesis Route

[1]JournalofOrganicChemistry,1978,vol.43,p.3223-3227

[1]Patent:CN108586383,2018,A.Locationinpatent:Paragraph0069-0075;0080;0087;0094;0101

[2]PhosphorusandSulfurandtheRelatedElements,1988,vol.35,p.311-318

[1]Patent:US4017506,1977,A

Literature

Title: Two-generation reproductive toxicity study of the rubber accelerator N,N-dicyclohexyl-2-benzothiazolesulfenamide in rats.

Journal: Reproductive toxicology (Elmsford, N.Y.) 20080101

Title: Evaluation of reproductive and developmental toxicity of the rubber accelerator N,N-dicyclohexyl-2-benzothiazolesulfenamide in rats.

Journal: Congenital anomalies 20071201

Title: Screening study for repeated dose and reproductive/developmental toxicity of rubber accelerator, N,N-dicyclohexyl-2-benzothiazolesulfenamide, in rats.

Journal: Drug and chemical toxicology 20070101

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SDS
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Tags:4979-32-2 Molecular Formula|4979-32-2 MDL|4979-32-2 SMILES|4979-32-2 N,N-Dicyclohexyl-2-benzothiazolsulfene amide
Catalog No.: AA00I8TF
4979-32-2,MFCD00236063
4979-32-2 | N,N-Dicyclohexyl-2-benzothiazolsulfene amide
Pack Size： 5mg
Purity： 98%
in stock
$42.00 $29.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00I8TF
Chemical Name: N,N-Dicyclohexyl-2-benzothiazolsulfene amide
CAS Number: 4979-32-2
Molecular Formula: C19H26N2S2
Molecular Weight: 346.5531
MDL Number: MFCD00236063
SMILES: C1CCC(CC1)N(C1CCCCC1)Sc1nc2c(s1)cccc2
Properties
Complexity: 348  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 23  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 6.7  
Upstream Synthesis Route
149-30-4    101-83-7    4979-32-2 

[1]Patent:CN108586383,2018,A,.Locationinpatent:Paragraph0069-0075;0080;0087;0094;0101

[2]PhosphorusandSulfurandtheRelatedElements,1988,vol.35,p.311-318

108-91-8    149-30-4    4979-32-2 

[1]EuropeanJournalofMedicinalChemistry,2015,vol.93,p.423-430

149-30-4    101-83-7    7757-83-7    4979-32-2 

[1]Patent:EP314663,1989,A1,

120-78-5    101-83-7    4979-32-2 

[1]JournalofOrganicChemistry,1978,vol.43,p.3223-3227

Downstream Synthesis Route
120-78-5    101-83-7    4979-32-2 

[1]JournalofOrganicChemistry,1978,vol.43,p.3223-3227

149-30-4    101-83-7    4979-32-2 

[1]Patent:CN108586383,2018,A.Locationinpatent:Paragraph0069-0075;0080;0087;0094;0101

[2]PhosphorusandSulfurandtheRelatedElements,1988,vol.35,p.311-318

4979-32-2    21588-52-3 

[1]Patent:US4017506,1977,A

Literature fold

Title: Two-generation reproductive toxicity study of the rubber accelerator N,N-dicyclohexyl-2-benzothiazolesulfenamide in rats.

Journal: Reproductive toxicology (Elmsford, N.Y.)20080101

Title: Evaluation of reproductive and developmental toxicity of the rubber accelerator N,N-dicyclohexyl-2-benzothiazolesulfenamide in rats.

Journal: Congenital anomalies20071201

Title: Screening study for repeated dose and reproductive/developmental toxicity of rubber accelerator, N,N-dicyclohexyl-2-benzothiazolesulfenamide, in rats.

Journal: Drug and chemical toxicology20070101

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