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82172-42-7 | 5-(CHLOROMETHYL)-4-METHYL-1,2,3-THIADIAZOLE
CAS No: 82172-42-7 Catalog No: AG0050ZI MDL No:MFCD10686610
Product Description
Catalog Number:
AG0050ZI
Chemical Name:
5-(CHLOROMETHYL)-4-METHYL-1,2,3-THIADIAZOLE
CAS Number:
82172-42-7
Molecular Formula:
C4H5ClN2S
Molecular Weight:
148.6139
MDL Number:
MFCD10686610
IUPAC Name:
5-(chloromethyl)-4-methylthiadiazole
InChI:
InChI=1S/C4H5ClN2S/c1-3-4(2-5)8-7-6-3/h2H2,1H3
InChI Key:
DPJYAOTXDQPOSQ-UHFFFAOYSA-N
SMILES:
ClCc1snnc1C
Properties
Complexity:
80.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.986g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.608g/mol
Monoisotopic Mass:
147.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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