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10218-95-8 | Carbamothioic chloride, (4-chlorophenyl)methyl- (9CI)
CAS No: 10218-95-8 Catalog No: AG0006TF MDL No:
Product Description
Catalog Number:
AG0006TF
Chemical Name:
Carbamothioic chloride, (4-chlorophenyl)methyl- (9CI)
CAS Number:
10218-95-8
Molecular Formula:
C8H7Cl2NS
Molecular Weight:
220.1189
IUPAC Name:
N-(4-chlorophenyl)-N-methylcarbamothioyl chloride
InChI:
InChI=1S/C8H7Cl2NS/c1-11(8(10)12)7-4-2-6(9)3-5-7/h2-5H,1H3
InChI Key:
OPKGEGFTMBPCTO-UHFFFAOYSA-N
SMILES:
ClC(=S)NCc1ccc(cc1)Cl
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.968g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.111g/mol
Monoisotopic Mass:
218.968g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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