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10191-90-9 | 1,2,4-Thiadiazole, 3-chloro-5-(methylthio)-
CAS No: 10191-90-9 Catalog No: AG0005X9 MDL No:MFCD06658049
Product Description
Catalog Number:
AG0005X9
Chemical Name:
1,2,4-Thiadiazole, 3-chloro-5-(methylthio)-
CAS Number:
10191-90-9
Molecular Formula:
C3H3ClN2S2
Molecular Weight:
166.6523
MDL Number:
MFCD06658049
IUPAC Name:
3-chloro-5-methylsulfanyl-1,2,4-thiadiazole
InChI:
InChI=1S/C3H3ClN2S2/c1-7-3-5-2(4)6-8-3/h1H3
InChI Key:
SKCVFIBEIGHQTK-UHFFFAOYSA-N
SMILES:
CSc1nc(ns1)Cl
Properties
Complexity:
81.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.943g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.641g/mol
Monoisotopic Mass:
165.943g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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