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88275-96-1 | 1,3,4-Thiadiazole-2(3H)-thione, 3-butyl-5-methyl-
CAS No: 88275-96-1 Catalog No: AG004BJR MDL No:
Product Description
Catalog Number:
AG004BJR
Chemical Name:
1,3,4-Thiadiazole-2(3H)-thione, 3-butyl-5-methyl-
CAS Number:
88275-96-1
Molecular Formula:
C7H12N2S2
Molecular Weight:
188.3136
IUPAC Name:
3-butyl-5-methyl-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C7H12N2S2/c1-3-4-5-9-7(10)11-6(2)8-9/h3-5H2,1-2H3
InChI Key:
SDLCSHSZWAGQIS-UHFFFAOYSA-N
SMILES:
CCCCn1nc(sc1=S)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.044g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.307g/mol
Monoisotopic Mass:
188.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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