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80491-23-2 | 1,2,3-Thiadiazole, 4-(2-phenylethenyl)-
CAS No: 80491-23-2 Catalog No: AG0052XX MDL No:
Product Description
Catalog Number:
AG0052XX
Chemical Name:
1,2,3-Thiadiazole, 4-(2-phenylethenyl)-
CAS Number:
80491-23-2
Molecular Formula:
C10H8N2S
Molecular Weight:
188.2489
IUPAC Name:
4-(2-phenylethenyl)thiadiazole
InChI:
InChI=1S/C10H8N2S/c1-2-4-9(5-3-1)6-7-10-8-13-12-11-10/h1-8H
InChI Key:
LLWUWMROYZSXNO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C=Cc1csnn1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.248g/mol
Monoisotopic Mass:
188.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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