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75565-12-7 | Carbamimidothioic acid,N-cyano-N'-(4-methoxyphenyl)-, methyl ester
CAS No: 75565-12-7 Catalog No: AG005JPN MDL No:
Product Description
Catalog Number:
AG005JPN
Chemical Name:
Carbamimidothioic acid,N-cyano-N'-(4-methoxyphenyl)-, methyl ester
CAS Number:
75565-12-7
Molecular Formula:
C10H11N3OS
Molecular Weight:
221.2788
IUPAC Name:
methyl N-cyano-N'-(4-methoxyphenyl)carbamimidothioate
InChI:
InChI=1S/C10H11N3OS/c1-14-9-5-3-8(4-6-9)13-10(15-2)12-7-11/h3-6H,1-2H3,(H,12,13)
InChI Key:
WQFVSTRGXWJJLY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N=C(NC#N)SC
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.278g/mol
Monoisotopic Mass:
221.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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