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13330-87-5 | Acetic acid, 2-[(2-amino-2-oxoethyl)thio]-
CAS No: 13330-87-5 Catalog No: AG0014KW MDL No:MFCD00176327
Product Description
Catalog Number:
AG0014KW
Chemical Name:
Acetic acid, 2-[(2-amino-2-oxoethyl)thio]-
CAS Number:
13330-87-5
Molecular Formula:
C4H7NO3S
Molecular Weight:
149.1683
MDL Number:
MFCD00176327
IUPAC Name:
2-(2-amino-2-oxoethyl)sulfanylacetic acid
InChI:
InChI=1S/C4H7NO3S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H2,5,6)(H,7,8)
InChI Key:
VUPWPHSXGCYTPV-UHFFFAOYSA-N
SMILES:
NC(=O)CSCC(=O)O
NSC Number:
612086
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.015g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
149.164g/mol
Monoisotopic Mass:
149.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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