Home Aminos Acetic acid, aminothioxo-, methyl ester

Acetic acid, aminothioxo-, methyl ester

CAS No.:
86563-22-6
Catalog Number:
AG004LFO
Molecular Formula:
C3H5NO2S
Molecular Weight:
119.1423
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Product Description
Catalog Number:
AG004LFO
Chemical Name:
Acetic acid, aminothioxo-, methyl ester
CAS Number:
86563-22-6
Molecular Formula:
C3H5NO2S
Molecular Weight:
119.1423
MDL Number:
MFCD11113319
IUPAC Name:
methyl 2-amino-2-sulfanylideneacetate
InChI:
InChI=1S/C3H5NO2S/c1-6-3(5)2(4)7/h1H3,(H2,4,7)
InChI Key:
BOOOPNVCLWZMAH-UHFFFAOYSA-N
SMILES:
COC(=O)C(=S)N
Properties
Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.004g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
119.138g/mol
Monoisotopic Mass:
119.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties