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89476-27-7 | Benzenamine, 4-chloro-N-(2,3-dimethyl-1,2,4-thiadiazol-5(2H)-ylidene)-
CAS No: 89476-27-7 Catalog No: AG00423K MDL No:
Product Description
Catalog Number:
AG00423K
Chemical Name:
Benzenamine, 4-chloro-N-(2,3-dimethyl-1,2,4-thiadiazol-5(2H)-ylidene)-
CAS Number:
89476-27-7
Molecular Formula:
C10H10ClN3S
Molecular Weight:
239.7245
IUPAC Name:
N-(4-chlorophenyl)-2,3-dimethyl-1,2,4-thiadiazol-5-imine
InChI:
InChI=1S/C10H10ClN3S/c1-7-12-10(15-14(7)2)13-9-5-3-8(11)4-6-9/h3-6H,1-2H3
InChI Key:
SQNMTPGQJQWCBC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)N=c1sn(c(n1)C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.721g/mol
Monoisotopic Mass:
239.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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