(E)-1-methylsulfanylpent-2-ene

C6H12S — CID 19883187

IUPAC(E)-1-methylsulfanylpent-2-ene
SMILESCC/C=C/CSC
InChIInChI=1S/C6H12S/c1-3-4-5-6-7-2/h4-5H,3,6H2,1-2H3/b5-4+
InChIKeyYPGYSSSXSFMUIO-SNAWJCMRSA-N
MW116.23 g/mol
LogP2.32
Rot. Bonds3

About (E)-1-methylsulfanylpent-2-ene

(E)-1-methylsulfanylpent-2-ene (PubChem CID 19883187) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is (E)-1-methylsulfanylpent-2-ene.

Molecular Properties

Compound Name(E)-1-methylsulfanylpent-2-ene
PubChem CID19883187
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Name(E)-1-methylsulfanylpent-2-ene
SMILESCC/C=C/CSC
InChIInChI=1S/C6H12S/c1-3-4-5-6-7-2/h4-5H,3,6H2,1-2H3/b5-4+
InChIKeyYPGYSSSXSFMUIO-SNAWJCMRSA-N
XLogP2.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-methylsulfanylhept-2-ene
CID 13215828
(E)-4-methylsulfanylbut-2-en-1-ol
CID 119096195
hex-3-ene;hydrochloride
CID 159012047
hex-3-ene;sulfane
CID 174453265
magnesium;(Z)-hex-3-ene;dibromide
CID 175085917
(Z)-hex-3-ene;methylazanium
CID 158917607
pentadeca-3,6,9,12-tetraene
CID 123748490
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
1-methylsulfanylbut-1-ene
CID 519416
(2E,6Z,9Z,12Z,15Z)-1-ethylsulfanyloctadeca-2,6,9,12,15-pentaene;(3Z,6Z,9Z,12Z,15Z)-1-ethylsulfanyloctadeca-3,6,9,12,15-pentaene
CID 159174808
(3Z,5Z)-7-methylsulfanylhepta-1,3,5-triene
CID 143284649

Frequently Asked Questions

What is the IUPAC name of (E)-1-methylsulfanylpent-2-ene?
The IUPAC name of (E)-1-methylsulfanylpent-2-ene (CID 19883187) is (E)-1-methylsulfanylpent-2-ene.
What is the SMILES notation for (E)-1-methylsulfanylpent-2-ene?
The canonical SMILES for (E)-1-methylsulfanylpent-2-ene is CC/C=C/CSC.
What is the InChIKey of (E)-1-methylsulfanylpent-2-ene?
The InChIKey is YPGYSSSXSFMUIO-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H12S/c1-3-4-5-6-7-2/h4-5H,3,6H2,1-2H3/b5-4+.
What are the key properties of (E)-1-methylsulfanylpent-2-ene?
(E)-1-methylsulfanylpent-2-ene has a molecular weight of 116.23 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methylsulfanylpent-2-ene is sourced from PubChem (CID 19883187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).