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889942-40-9 | 4-Benzylthiazole-2(5H)-thione
CAS No: 889942-40-9 Catalog No: AG00440C MDL No:
Product Description
Catalog Number:
AG00440C
Chemical Name:
4-Benzylthiazole-2(5H)-thione
CAS Number:
889942-40-9
Molecular Formula:
C10H9NS2
Molecular Weight:
207.3152
IUPAC Name:
4-benzyl-5H-1,3-thiazole-2-thione
InChI:
InChI=1S/C10H9NS2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
IWBSEFOGZJBCGR-UHFFFAOYSA-N
SMILES:
S=C1SCC(=N1)Cc1ccccc1
Properties
Complexity:
229
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:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.309g/mol
Monoisotopic Mass:
207.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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