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17654-88-5 | 1,3,4-Thiadiazolidine-2,5-dithione, 3-phenyl-
CAS No: 17654-88-5 Catalog No: AG0024R9 MDL No:MFCD00051470
Product Description
Catalog Number:
AG0024R9
Chemical Name:
1,3,4-Thiadiazolidine-2,5-dithione, 3-phenyl-
CAS Number:
17654-88-5
Molecular Formula:
C8H6N2S3
Molecular Weight:
226.3416
MDL Number:
MFCD00051470
IUPAC Name:
3-phenyl-1,3,4-thiadiazolidine-2,5-dithione
InChI:
InChI=1S/C8H6N2S3/c11-7-9-10(8(12)13-7)6-4-2-1-3-5-6/h1-5H,(H,9,11)
InChI Key:
JRFUIXXCQSIOEB-UHFFFAOYSA-N
SMILES:
S=c1sc(=S)[nH]n1c1ccccc1
EC Number:
241-636-0
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.33g/mol
Monoisotopic Mass:
225.969g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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