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1001-58-7,MFCD00054507
Catalog No.:AA0000V9
1001-58-7 | Propanenitrile, 3-mercapto-
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250mg
95%
1 week  
$163.00
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1g
95%
1 week  
$347.00
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5g
95%
1 week  
$960.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000V9
Chemical Name:
Propanenitrile, 3-mercapto-
CAS Number:
1001-58-7
Molecular Formula:
C3H5NS
Molecular Weight:
87.1435
MDL Number:
MFCD00054507
IUPAC Name:
3-sulfanylpropanenitrile
InChI:
InChI=1S/C3H5NS/c4-2-1-3-5/h5H,1,3H2
InChI Key:
FCTXEFOUDMXDPD-UHFFFAOYSA-N
SMILES:
SCCC#N
EC Number:
213-682-1
Properties
Computed Properties
 
Complexity:
51.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
87.014g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
87.14g/mol
Monoisotopic Mass:
87.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
24.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

Synonyms
 
1001-58-7 
Propanenitrile, 3-mercapto- 
BRN 1738135 
EINECS 213-682-1 
FCTXEFOUDMXDPD-UHFFFAOYSA-N 
2-cyanoethyl mercaptan 
3-mercaptopropanonitrile 
ACMC-20p1cd 
3-mercapto-propionitrile 
beta-mercaptopropionitrile 
.beta.-Cyanoethylmercaptan 
AC1L2E6E 
3-Mercaptopropionitrile 
4-03-00-00747 (Beilstein Handbook Reference) 
DTXSID4061383 
CTK9A5755 
ZINC5178853 
MFCD00054507 
AKOS006345272 
MCULE-7199964466 
TRA0127641 
CJ-12502 
LS-65832 
3-sulfanylpropanenitrile 
SC-66276 
AK01050765 
FT-0652645 
A800061 
S09-0084 
BY1 
(R)-(-)-Praziquantel 
C3H5NS 
Propionitrile, 3-mercapto- 
C3-H5-N-S 
1-Cyano-2-mercaptoethane 
CID70477 
ACN-043746 
3-[(4-methylphenyl)sulfonyl]prop-2-enenitrile 
57452-98-9 
3-mercaptopropanenitrile 
3-Mercaptopropiononitrile 
beta-Cyanoethylmercaptan 
Ethane, 1-cyano-2-mercapto- 
Ethanethiol, 2-cyano- 
Literature

Title: Fmoc-based synthesis of peptide thioacids for azide ligations via 2-cyanoethyl thioesters.

Journal: Organic letters 20121005

Title: Experimental and theoretical investigation of vibrational spectra of coordination polymers based on TCE-TTF.

Journal: Chemphyschem : a European journal of chemical physics and physical chemistry 20110801

Title: 4-(2-Cyano-ethyl-sulfan-yl)-5'-(pyridin-4-yl)tetra-thia-fulvalene.

Journal: Acta crystallographica. Section E, Structure reports online 20110601

Title: 3-(2-Thioxo-1,3-dithiol-4-ylsulfan-yl)-propane-nitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20081101

Title: Synthesis and properties of functionalized 4 nm scale molecular wires with thiolated termini for self-assembly onto metal surfaces.

Journal: The Journal of organic chemistry 20080704

Title: Normal carbon acid referencing for protein amide hydrogen exchange.

Journal: Magnetic resonance in chemistry : MRC 20070701

Title: Convergent synthesis of 10 nm aryleneethynylene molecular wires by an iterative regioselective deprotection/Sonogashira coupling protocol.

Journal: The Journal of organic chemistry 20060106

Title: 3-Mercaptopropionic acid-nitrile imine adducts. An unprecedented cyclization into 1,3,4-thiadiazol-2(3H)-ones and -2(3H)-thiones.

Journal: Organic & biomolecular chemistry 20050721

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