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Home > Imidazoles > 7144-90-3
7144-90-3 | 1H-imidazol-2-ylsulfanyl-phenyl-methanone
CAS No: 7144-90-3 Catalog No: AG0067X5 MDL No:
Product Description
Catalog Number:
AG0067X5
Chemical Name:
1H-imidazol-2-ylsulfanyl-phenyl-methanone
CAS Number:
7144-90-3
Molecular Formula:
C10H8N2OS
Molecular Weight:
204.2483
IUPAC Name:
S-(1H-imidazol-2-yl) benzenecarbothioate
InChI:
InChI=1S/C10H8N2OS/c13-9(8-4-2-1-3-5-8)14-10-11-6-7-12-10/h1-7H,(H,11,12)
InChI Key:
ZIDJGRCIVFELJW-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Sc1ncc[nH]1
NSC Number:
47044
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.247g/mol
Monoisotopic Mass:
204.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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