3-methylsulfanyl-2-(methylsulfanylmethyl)prop-1-ene

C6H12S2 — CID 13349598

IUPAC3-methylsulfanyl-2-(methylsulfanylmethyl)prop-1-ene
SMILESC=C(CSC)CSC
InChIInChI=1S/C6H12S2/c1-6(4-7-2)5-8-3/h1,4-5H2,2-3H3
InChIKeyXBKBHMPWTPSOPN-UHFFFAOYSA-N
MW148.30 g/mol
LogP2.27
Rot. Bonds4

About 3-methylsulfanyl-2-(methylsulfanylmethyl)prop-1-ene

3-methylsulfanyl-2-(methylsulfanylmethyl)prop-1-ene (PubChem CID 13349598) has the molecular formula C6H12S2 and a molecular weight of 148.30 g/mol. Its IUPAC name is 3-methylsulfanyl-2-(methylsulfanylmethyl)prop-1-ene.

Molecular Properties

Compound Name3-methylsulfanyl-2-(methylsulfanylmethyl)prop-1-ene
PubChem CID13349598
Molecular FormulaC6H12S2
Molecular Weight148.30 g/mol
Exact Mass148.04
IUPAC Name3-methylsulfanyl-2-(methylsulfanylmethyl)prop-1-ene
SMILESC=C(CSC)CSC
InChIInChI=1S/C6H12S2/c1-6(4-7-2)5-8-3/h1,4-5H2,2-3H3
InChIKeyXBKBHMPWTPSOPN-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-2-(methylsulfanylmethyl)prop-1-ene?
The IUPAC name of 3-methylsulfanyl-2-(methylsulfanylmethyl)prop-1-ene (CID 13349598) is 3-methylsulfanyl-2-(methylsulfanylmethyl)prop-1-ene.
What is the SMILES notation for 3-methylsulfanyl-2-(methylsulfanylmethyl)prop-1-ene?
The canonical SMILES for 3-methylsulfanyl-2-(methylsulfanylmethyl)prop-1-ene is C=C(CSC)CSC.
What is the InChIKey of 3-methylsulfanyl-2-(methylsulfanylmethyl)prop-1-ene?
The InChIKey is XBKBHMPWTPSOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S2/c1-6(4-7-2)5-8-3/h1,4-5H2,2-3H3.
What are the key properties of 3-methylsulfanyl-2-(methylsulfanylmethyl)prop-1-ene?
3-methylsulfanyl-2-(methylsulfanylmethyl)prop-1-ene has a molecular weight of 148.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-2-(methylsulfanylmethyl)prop-1-ene is sourced from PubChem (CID 13349598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).