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114665-06-4 | Carbamimidothioic acid, N-cyano-N'-[2-(2-pyridinyl)ethyl]-, methyl ester
CAS No: 114665-06-4 Catalog No: AG000EZE MDL No:
Product Description
Catalog Number:
AG000EZE
Chemical Name:
Carbamimidothioic acid, N-cyano-N'-[2-(2-pyridinyl)ethyl]-, methyl ester
CAS Number:
114665-06-4
Molecular Formula:
C10H12N4S
Molecular Weight:
220.2941
IUPAC Name:
methyl N-cyano-N'-(2-pyridin-2-ylethyl)carbamimidothioate
InChI:
InChI=1S/C10H12N4S/c1-15-10(14-8-11)13-7-5-9-4-2-3-6-12-9/h2-4,6H,5,7H2,1H3,(H,13,14)
InChI Key:
BQMHHGMJVLTBGC-UHFFFAOYSA-N
SMILES:
N#CNC(=NCCc1ccccn1)SC
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.078g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.294g/mol
Monoisotopic Mass:
220.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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