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88352-39-0 | Carbamimidothioic acid, (4-chloro-2-methylphenyl)-, methyl ester
CAS No: 88352-39-0 Catalog No: AG0046UA MDL No:
Product Description
Catalog Number:
AG0046UA
Chemical Name:
Carbamimidothioic acid, (4-chloro-2-methylphenyl)-, methyl ester
CAS Number:
88352-39-0
Molecular Formula:
C9H11ClN2S
Molecular Weight:
214.7150
IUPAC Name:
methyl N'-(4-chloro-2-methylphenyl)carbamimidothioate
InChI:
InChI=1S/C9H11ClN2S/c1-6-5-7(10)3-4-8(6)12-9(11)13-2/h3-5H,1-2H3,(H2,11,12)
InChI Key:
ALMHCXBERQGROF-UHFFFAOYSA-N
SMILES:
CSC(=N)Nc1ccc(cc1C)Cl
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.711g/mol
Monoisotopic Mass:
214.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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