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72214-67-6 | 2,4-dichlorobenzyl carbamimidothioate
CAS No: 72214-67-6 Catalog No: AG005JFV MDL No:MFCD01242444
Product Description
Catalog Number:
AG005JFV
Chemical Name:
2,4-dichlorobenzyl carbamimidothioate
CAS Number:
72214-67-6
Molecular Formula:
C8H8Cl2N2S
Molecular Weight:
235.1335
MDL Number:
MFCD01242444
IUPAC Name:
(2,4-dichlorophenyl)methyl carbamimidothioate;hydrochloride
InChI:
InChI=1S/C8H8Cl2N2S.ClH/c9-6-2-1-5(7(10)3-6)4-13-8(11)12;/h1-3H,4H2,(H3,11,12);1H
InChI Key:
COMNQRICZGJVLE-UHFFFAOYSA-N
SMILES:
NC(=N)SCc1ccc(cc1Cl)Cl
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.955g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.584g/mol
Monoisotopic Mass:
269.955g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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