3,4-Dimethyl-3-sulfolene - CAS 18214-56-7

Catalog:	BB066858
Product Name:	3,4-Dimethyl-3-sulfolene
CAS:	18214-56-7
Synonyms:	2,5-Dihydro-3,4-dimethylthiophene 1,1-dioxide; 3,4-Dimethyl-2,5-dihydrothiophene 1,1-dioxide; NSC 227911

Technical Data

IUPAC Name:	3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide
Description:	3,4-Dimethyl-3-sulfolene acts as a synthetic reagent for the preparation of Terpenoids which are natural products.
Molecular Weight:	146.21
Molecular Formula:	C6H10O2S
Canonical SMILES:	CC1=C(CS(=O)(=O)C1)C
InChI:	InChI=1S/C6H10O2S/c1-5-3-9(7,8)4-6(5)2/h3-4H2,1-2H3
InChI Key:	DHOANNNWUWPODE-UHFFFAOYSA-N
Melting Point:	133 - 137°C
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Solid
Storage:	Hygroscopic, Refrigerator, under inert atmosphere
References:	Houge, F., et al. Dissertation 1986.

Complexity:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.04015073
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	146.04015073
Rotatable Bond Count:	0
Topological Polar Surface Area:	42.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3