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2103-95-9 | 2(3H)-Thiazolethione, 4-(4-bromophenyl)-
CAS No: 2103-95-9 Catalog No: AG002KOL MDL No:MFCD08276464
Product Description
Catalog Number:
AG002KOL
Chemical Name:
2(3H)-Thiazolethione, 4-(4-bromophenyl)-
CAS Number:
2103-95-9
Molecular Formula:
C9H6BrNS2
Molecular Weight:
272.1846
MDL Number:
MFCD08276464
IUPAC Name:
4-(4-bromophenyl)-3H-1,3-thiazole-2-thione
InChI:
InChI=1S/C9H6BrNS2/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
InChI Key:
QNNMMIMBOFCDQK-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1csc(=S)[nH]1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.913g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.178g/mol
Monoisotopic Mass:
270.913g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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