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88275-97-2 | 1,3,4-Thiadiazole, 2-(butylthio)-5-methyl-
CAS No: 88275-97-2 Catalog No: AG0049VI MDL No:
Product Description
Catalog Number:
AG0049VI
Chemical Name:
1,3,4-Thiadiazole, 2-(butylthio)-5-methyl-
CAS Number:
88275-97-2
Molecular Formula:
C7H12N2S2
Molecular Weight:
188.3136
IUPAC Name:
2-butylsulfanyl-5-methyl-1,3,4-thiadiazole
InChI:
InChI=1S/C7H12N2S2/c1-3-4-5-10-7-9-8-6(2)11-7/h3-5H2,1-2H3
InChI Key:
JDGRFWCNKDXETA-UHFFFAOYSA-N
SMILES:
CCCCSc1nnc(s1)C
Properties
Complexity:
111
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.307g/mol
Monoisotopic Mass:
188.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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