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14730-25-7 | 1,4,2-Dithiazole-5-thione, 3-phenyl-
CAS No: 14730-25-7 Catalog No: AG001ESH MDL No:MFCD01109296
Product Description
Catalog Number:
AG001ESH
Chemical Name:
1,4,2-Dithiazole-5-thione, 3-phenyl-
CAS Number:
14730-25-7
Molecular Formula:
C8H5NS3
Molecular Weight:
211.3270
MDL Number:
MFCD01109296
IUPAC Name:
3-phenyl-1,4,2-dithiazole-5-thione
InChI:
InChI=1S/C8H5NS3/c10-8-11-7(9-12-8)6-4-2-1-3-5-6/h1-5H
InChI Key:
ZFTJMLGRJPTVQO-UHFFFAOYSA-N
SMILES:
S=c1snc(s1)c1ccccc1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.958g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.315g/mol
Monoisotopic Mass:
210.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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