Home Thiazoles 101184-85-4
101184-85-4,MFCD15209531
Catalog No.:AA0003TH
101184-85-4 | 1,4-Thiazepine, hexahydro-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$614.00   $430.00
- +
500mg
95.0%
3 weeks  
$930.00   $651.00
- +
1g
95.0%
3 weeks  
$1,174.00   $822.00
- +
  • Technical Information
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  • Q & A
  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0003TH
Chemical Name:
1,4-Thiazepine, hexahydro-
CAS Number:
101184-85-4
Molecular Formula:
C5H11NS
Molecular Weight:
117.2125
MDL Number:
MFCD15209531
IUPAC Name:
1,4-thiazepane
InChI:
InChI=1S/C5H11NS/c1-2-6-3-5-7-4-1/h6H,1-5H2
InChI Key:
OQFUNFPIPRUQAE-UHFFFAOYSA-N
SMILES:
C1CNCCSC1
Properties
Computed Properties
 
Complexity:
47.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.061g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
117.21g/mol
Monoisotopic Mass:
117.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Synonyms
 
1,4-thiazepane 
101184-85-4 
ZINC20216505 
AKOS006220752 
MCULE-3091366568 
NE39868 
AJ-76329 
EN300-54917 
F2147-1370 
Z1954803255 
hexahydro-1,4-thiazepine 
1,4-Thiazepine, hexahydro- 
AC1Q1IAF 
1,4-Thiazepine,hexahydro- 
SCHEMBL138572 
ACMC-20m487 
CTK0G8392 
DTXSID30586342 
OQFUNFPIPRUQAE-UHFFFAOYSA-N 
Literature
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