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7404-50-4 | Acetic acid,2-[(aminoiminomethyl)thio]-
CAS No: 7404-50-4 Catalog No: AG005I46 MDL No:MFCD00778281
Product Description
Catalog Number:
AG005I46
Chemical Name:
Acetic acid,2-[(aminoiminomethyl)thio]-
CAS Number:
7404-50-4
Molecular Formula:
C3H6N2O2S
Molecular Weight:
134.1569
MDL Number:
MFCD00778281
IUPAC Name:
2-carbamimidoylsulfanylacetic acid
InChI:
InChI=1S/C3H6N2O2S/c4-3(5)8-1-2(6)7/h1H2,(H3,4,5)(H,6,7)
InChI Key:
BWUNQEXPLIAUOU-UHFFFAOYSA-N
SMILES:
OC(=O)CSC(=N)N
EC Number:
231-010-5
NSC Number:
403734
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.015g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
134.153g/mol
Monoisotopic Mass:
134.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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