(E)-2-methyl-1-methylsulfanylbut-1-ene

C6H12S — CID 21030546

IUPAC(E)-2-methyl-1-methylsulfanylbut-1-ene
SMILESCC/C(C)=C/SC
InChIInChI=1S/C6H12S/c1-4-6(2)5-7-3/h5H,4H2,1-3H3/b6-5+
InChIKeyFMPSOGOKRBSRLA-AATRIKPKSA-N
MW116.23 g/mol
LogP2.66
Rot. Bonds2

About (E)-2-methyl-1-methylsulfanylbut-1-ene

(E)-2-methyl-1-methylsulfanylbut-1-ene (PubChem CID 21030546) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is (E)-2-methyl-1-methylsulfanylbut-1-ene.

Molecular Properties

Compound Name(E)-2-methyl-1-methylsulfanylbut-1-ene
PubChem CID21030546
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Name(E)-2-methyl-1-methylsulfanylbut-1-ene
SMILESCC/C(C)=C/SC
InChIInChI=1S/C6H12S/c1-4-6(2)5-7-3/h5H,4H2,1-3H3/b6-5+
InChIKeyFMPSOGOKRBSRLA-AATRIKPKSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-1-propenethiol
CID 19883177
4,5-Dihydrothiophene, 3-methyl-
CID 145361
1-Butene, 2-methyl-4-(methylthio)-
CID 6453823
Methyl 3-methylbut-3-enyl sulfide
CID 91750743
1-Propene, 2-methyl-1-(methylthio)-
CID 521366
3-Methyl-3-butene-1-thiol
CID 534532
(1Z)-1-(Ethylthio)-3-methyl-1,3-butadiene
CID 13115305
1,3-Butadiene, 1-(ethylthio)-3-methyl-
CID 5369202
1-Ethylthio-3-methyl-1,3-butadiene
CID 567276
2-Prop-1-en-2-ylthiirane
CID 57702325
(z)-2-Methyl-1-butene-1-thiol
CID 88875129
(E)-2-methyl-1-methylsulfinylbut-1-ene
CID 123754683

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-1-methylsulfanylbut-1-ene?
The IUPAC name of (E)-2-methyl-1-methylsulfanylbut-1-ene (CID 21030546) is (E)-2-methyl-1-methylsulfanylbut-1-ene.
What is the SMILES notation for (E)-2-methyl-1-methylsulfanylbut-1-ene?
The canonical SMILES for (E)-2-methyl-1-methylsulfanylbut-1-ene is CC/C(C)=C/SC.
What is the InChIKey of (E)-2-methyl-1-methylsulfanylbut-1-ene?
The InChIKey is FMPSOGOKRBSRLA-AATRIKPKSA-N. The full InChI is InChI=1S/C6H12S/c1-4-6(2)5-7-3/h5H,4H2,1-3H3/b6-5+.
What are the key properties of (E)-2-methyl-1-methylsulfanylbut-1-ene?
(E)-2-methyl-1-methylsulfanylbut-1-ene has a molecular weight of 116.23 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-methylsulfanylbut-1-ene is sourced from PubChem (CID 21030546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).