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100282-87-9 | 1,2,5-Thiadiazole, 3-chloro-4-(4-methylphenyl)-
CAS No: 100282-87-9 Catalog No: AG0001GW MDL No:
Product Description
Catalog Number:
AG0001GW
Chemical Name:
1,2,5-Thiadiazole, 3-chloro-4-(4-methylphenyl)-
CAS Number:
100282-87-9
Molecular Formula:
C9H7ClN2S
Molecular Weight:
210.6833
IUPAC Name:
3-chloro-4-(4-methylphenyl)-1,2,5-thiadiazole
InChI:
InChI=1S/C9H7ClN2S/c1-6-2-4-7(5-3-6)8-9(10)12-13-11-8/h2-5H,1H3
InChI Key:
OJFYPYSOMRCVRH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nsnc1Cl
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.002g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.679g/mol
Monoisotopic Mass:
210.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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