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Home > Pyridines > 845879-15-4
845879-15-4 | 1-Cyano-2-methyl-3-(pyridin-2-yl)isothiourea
CAS No: 845879-15-4 Catalog No: AG01EXR0 MDL No:
Product Description
Catalog Number:
AG01EXR0
Chemical Name:
1-Cyano-2-methyl-3-(pyridin-2-yl)isothiourea
CAS Number:
845879-15-4
Molecular Formula:
C8H8N4S
Molecular Weight:
192.2409
IUPAC Name:
methyl N-cyano-N'-pyridin-2-ylcarbamimidothioate
InChI:
InChI=1S/C8H8N4S/c1-13-8(11-6-9)12-7-4-2-3-5-10-7/h2-5H,1H3,(H,10,11,12)
InChI Key:
ZBURZHIZKYDXHN-UHFFFAOYSA-N
SMILES:
N#C/N=C(/Nc1ccccn1)\SC
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
192.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.24g/mol
Monoisotopic Mass:
192.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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