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25946-21-8 | 3-Pentanethione, 2,2-dimethyl-
CAS No: 25946-21-8 Catalog No: AG002R4Y MDL No:
Product Description
Catalog Number:
AG002R4Y
Chemical Name:
3-Pentanethione, 2,2-dimethyl-
CAS Number:
25946-21-8
Molecular Formula:
C7H14S
Molecular Weight:
130.2511
IUPAC Name:
2,2-dimethylpentane-3-thione
InChI:
InChI=1S/C7H14S/c1-5-6(8)7(2,3)4/h5H2,1-4H3
InChI Key:
OIMRDYDKAPUOSL-UHFFFAOYSA-N
SMILES:
CCC(=S)C(C)(C)C
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.082g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.249g/mol
Monoisotopic Mass:
130.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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