Name: Name:2-Methyl-4-propyl-1,3-oxathiane
Brand: Angene
SKU: AG003HNE
Rating: 90 (10 reviews)

2-Methyl-4-propyl-1,3-oxathiane

CAS No.:

67715-80-4

Catalog Number:

AG003HNE

Molecular Formula:

C8H16OS

Molecular Weight:

160.2770

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

>97.0%(GC)

1 week

United States

$120

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Product Description

Catalog Number:

AG003HNE

Chemical Name:

2-Methyl-4-propyl-1,3-oxathiane

CAS Number:

67715-80-4

Molecular Formula:

C8H16OS

Molecular Weight:

160.2770

MDL Number:

MFCD00673203

IUPAC Name:

2-methyl-4-propyl-1,3-oxathiane

InChI:

InChI=1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3

InChI Key:

GKGOLPMYJJXRGD-UHFFFAOYSA-N

SMILES:

CCCC1CCOC(S1)C

FEMA Number:

3578

Properties

Complexity:

95.3

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

160.092g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

160.275g/mol

Monoisotopic Mass:

160.092g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
A new efficient enantioselective synthesis of (+)-cis-2-methyl-4-propyl-1,3-oxathiane, a valuable ingredient for the aroma of passion fruit.	Chirality 20090101

Properties