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1003-45-8 | 3(2H)-Thiophenone, dihydro-4,4-dimethyl-
CAS No: 1003-45-8 Catalog No: AG0001IK MDL No:MFCD18451858
Product Description
Catalog Number:
AG0001IK
Chemical Name:
3(2H)-Thiophenone, dihydro-4,4-dimethyl-
CAS Number:
1003-45-8
Molecular Formula:
C6H10OS
Molecular Weight:
130.2080
MDL Number:
MFCD18451858
IUPAC Name:
4,4-dimethylthiolan-3-one
InChI:
InChI=1S/C6H10OS/c1-6(2)4-8-3-5(6)7/h3-4H2,1-2H3
InChI Key:
QVNMAGJMTZCCED-UHFFFAOYSA-N
SMILES:
O=C1CSCC1(C)C
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.045g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.205g/mol
Monoisotopic Mass:
130.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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