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147608-23-9 | Carbamimidothioic acid, 2-hydroxy-1-propen-1-yl ester
CAS No: 147608-23-9 Catalog No: AG001F1E MDL No:MFCD18834803
Product Description
Catalog Number:
AG001F1E
Chemical Name:
Carbamimidothioic acid, 2-hydroxy-1-propen-1-yl ester
CAS Number:
147608-23-9
Molecular Formula:
C4H8N2OS
Molecular Weight:
132.1841
MDL Number:
MFCD18834803
IUPAC Name:
2-hydroxyprop-2-enyl carbamimidothioate
InChI:
InChI=1S/C4H8N2OS/c1-3(7)2-8-4(5)6/h7H,1-2H2,(H3,5,6)
InChI Key:
KKFWAECIAHTTAO-UHFFFAOYSA-N
SMILES:
NC(=N)SC=C(O)C
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.036g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
132.181g/mol
Monoisotopic Mass:
132.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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