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88977-01-9 | 1,3,4-Thiadiazol-2(3H)-one, 3-[3-(methylthio)propyl]-5-(trifluoromethyl)-
CAS No: 88977-01-9 Catalog No: AG0045KQ MDL No:
Product Description
Catalog Number:
AG0045KQ
Chemical Name:
1,3,4-Thiadiazol-2(3H)-one, 3-[3-(methylthio)propyl]-5-(trifluoromethyl)-
CAS Number:
88977-01-9
Molecular Formula:
C7H9F3N2OS2
Molecular Weight:
258.2844
IUPAC Name:
3-(3-methylsulfanylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-one
InChI:
InChI=1S/C7H9F3N2OS2/c1-14-4-2-3-12-6(13)15-5(11-12)7(8,9)10/h2-4H2,1H3
InChI Key:
CRGDQOVLWSJOEV-UHFFFAOYSA-N
SMILES:
CSCCCn1nc(sc1=O)C(F)(F)F
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.011g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.277g/mol
Monoisotopic Mass:
258.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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