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89501-98-4 | Thiazole, 4-[(phenylmethyl)thio]-
CAS No: 89501-98-4 Catalog No: AG0087QS MDL No:
Product Description
Catalog Number:
AG0087QS
Chemical Name:
Thiazole, 4-[(phenylmethyl)thio]-
CAS Number:
89501-98-4
Molecular Formula:
C10H9NS2
Molecular Weight:
207.3152
IUPAC Name:
4-benzylsulfanyl-1,3-thiazole
InChI:
InChI=1S/C10H9NS2/c1-2-4-9(5-3-1)6-13-10-7-12-8-11-10/h1-5,7-8H,6H2
InChI Key:
RJCKWYCDEXLLET-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CSc1cscn1
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.018g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.309g/mol
Monoisotopic Mass:
207.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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