Mintsulfide

Compound Structure:

Synonyms:

2-Methyl-8-methylidene-5-propan-2-yl-11-thiatricyclo[5.3.1.02,6]undecane; Mintsulfide; (-)-Mintsulfide; Mintsulfite; Mint sulphide; .alpha.-Mintsulfide; 3a-Methyl-7-methylidene-1-(propan-2-yl)decahydro-4,8-epithioazulene

Compound ID:

NMPC-1272

PubChem ID:

14564587

Molecular Formula:

C15H24S

Canonical SMILES:

CC(C)C1CCC2(C1C3C(=C)CCC2S3)C

InChIKey:

HVLGGQYBXOJMLO-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	236.4 g/mol
XLogP3-AA	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	236.15987194 g/mol
Monoisotopic Mass	236.15987194 g/mol
Topological Polar Surface Area	25.3Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	319
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Solid
Melting Point	64 °C

Source: PubChem

Source Species:

Tithonia rotundifolia

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