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72472-02-7 | 2,4,4-TRIMETHYL-1,3-OXATHIANE
CAS No: 72472-02-7 Catalog No: AG005HF7 MDL No:
Product Description
Catalog Number:
AG005HF7
Chemical Name:
2,4,4-TRIMETHYL-1,3-OXATHIANE
CAS Number:
72472-02-7
Molecular Formula:
C7H14OS
Molecular Weight:
146.2505
IUPAC Name:
2,4,4-trimethyl-1,3-oxathiane
InChI:
InChI=1S/C7H14OS/c1-6-8-5-4-7(2,3)9-6/h6H,4-5H2,1-3H3
InChI Key:
RRVYBZOPLAEEFE-UHFFFAOYSA-N
SMILES:
CC1OCCC(S1)(C)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.077g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.248g/mol
Monoisotopic Mass:
146.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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