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83508-64-9 | Carbamothioic chloride,(3,5-dimethylphenyl)methyl- (9CI)
CAS No: 83508-64-9 Catalog No: AG00505B MDL No:MFCD03093841
Product Description
Catalog Number:
AG00505B
Chemical Name:
Carbamothioic chloride,(3,5-dimethylphenyl)methyl- (9CI)
CAS Number:
83508-64-9
Molecular Formula:
C10H12ClNS
Molecular Weight:
213.7270
MDL Number:
MFCD03093841
IUPAC Name:
N-(3,5-dimethylphenyl)-N-methylcarbamothioyl chloride
InChI:
InChI=1S/C10H12ClNS/c1-7-4-8(2)6-9(5-7)12(3)10(11)13/h4-6H,1-3H3
InChI Key:
AJSUMYQXBHXRRT-UHFFFAOYSA-N
SMILES:
CN(c1cc(C)cc(c1)C)C(=S)Cl
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.723g/mol
Monoisotopic Mass:
213.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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