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89501-95-1 | Thiazole, 4-chloro-2-[(phenylmethyl)thio]-
CAS No: 89501-95-1 Catalog No: AG0041OU MDL No:
Product Description
Catalog Number:
AG0041OU
Chemical Name:
Thiazole, 4-chloro-2-[(phenylmethyl)thio]-
CAS Number:
89501-95-1
Molecular Formula:
C10H8ClNS2
Molecular Weight:
241.7602
IUPAC Name:
2-benzylsulfanyl-4-chloro-1,3-thiazole
InChI:
InChI=1S/C10H8ClNS2/c11-9-7-14-10(12-9)13-6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChI Key:
UMUMWBQYKXVOSV-UHFFFAOYSA-N
SMILES:
Clc1csc(n1)SCc1ccccc1
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.979g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.751g/mol
Monoisotopic Mass:
240.979g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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