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carbamothioylmethyl acetate

CAS No.:
40235-62-9
Catalog Number:
AG019NH9
Molecular Formula:
C4H7NO2S
Molecular Weight:
133.1689
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Product Description
Catalog Number:
AG019NH9
Chemical Name:
carbamothioylmethyl acetate
CAS Number:
40235-62-9
Molecular Formula:
C4H7NO2S
Molecular Weight:
133.1689
MDL Number:
MFCD11505599
IUPAC Name:
(2-amino-2-sulfanylideneethyl) acetate
InChI:
InChI=1S/C4H7NO2S/c1-3(6)7-2-4(5)8/h2H2,1H3,(H2,5,8)
InChI Key:
JJDXREXQSCIIJY-UHFFFAOYSA-N
SMILES:
CC(=O)OCC(=S)N
Properties
Complexity:
113  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.02g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
133.165g/mol
Monoisotopic Mass:
133.02g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties