(E)-1-methylsulfanylbut-1-ene

C5H10S — CID 5368103

IUPAC(E)-1-methylsulfanylbut-1-ene
SMILESCC/C=C/SC
InChIInChI=1S/C5H10S/c1-3-4-5-6-2/h4-5H,3H2,1-2H3/b5-4+
InChIKeyQOKMHYUWJKXWOV-SNAWJCMRSA-N
MW102.20 g/mol
LogP2.27
Rot. Bonds2

About (E)-1-methylsulfanylbut-1-ene

(E)-1-methylsulfanylbut-1-ene (PubChem CID 5368103) has the molecular formula C5H10S and a molecular weight of 102.20 g/mol. Its IUPAC name is (E)-1-methylsulfanylbut-1-ene.

Molecular Properties

Compound Name(E)-1-methylsulfanylbut-1-ene
PubChem CID5368103
Molecular FormulaC5H10S
Molecular Weight102.20 g/mol
Exact Mass102.05
IUPAC Name(E)-1-methylsulfanylbut-1-ene
SMILESCC/C=C/SC
InChIInChI=1S/C5H10S/c1-3-4-5-6-2/h4-5H,3H2,1-2H3/b5-4+
InChIKeyQOKMHYUWJKXWOV-SNAWJCMRSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-1-methylsulfanylbut-1-ene?
The IUPAC name of (E)-1-methylsulfanylbut-1-ene (CID 5368103) is (E)-1-methylsulfanylbut-1-ene.
What is the SMILES notation for (E)-1-methylsulfanylbut-1-ene?
The canonical SMILES for (E)-1-methylsulfanylbut-1-ene is CC/C=C/SC.
What is the InChIKey of (E)-1-methylsulfanylbut-1-ene?
The InChIKey is QOKMHYUWJKXWOV-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H10S/c1-3-4-5-6-2/h4-5H,3H2,1-2H3/b5-4+.
What are the key properties of (E)-1-methylsulfanylbut-1-ene?
(E)-1-methylsulfanylbut-1-ene has a molecular weight of 102.20 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methylsulfanylbut-1-ene is sourced from PubChem (CID 5368103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).