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102272-92-4 | Carbamimidothioic acid, (phenylamino)methyl ester
CAS No: 102272-92-4 Catalog No: AG00072X MDL No:
Product Description
Catalog Number:
AG00072X
Chemical Name:
Carbamimidothioic acid, (phenylamino)methyl ester
CAS Number:
102272-92-4
Molecular Formula:
C8H11N3S
Molecular Weight:
181.2580
IUPAC Name:
anilinomethyl carbamimidothioate
InChI:
InChI=1S/C8H11N3S/c9-8(10)12-6-11-7-4-2-1-3-5-7/h1-5,11H,6H2,(H3,9,10)
InChI Key:
QUAUURVJNHKWAS-UHFFFAOYSA-N
SMILES:
NC(=N)SCNc1ccccc1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.067g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.257g/mol
Monoisotopic Mass:
181.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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