(E)-3,3-dimethyl-1-methylsulfanylbut-1-ene

C7H14S — CID 12514290

IUPAC(E)-3,3-dimethyl-1-methylsulfanylbut-1-ene
SMILESCS/C=C/C(C)(C)C
InChIInChI=1S/C7H14S/c1-7(2,3)5-6-8-4/h5-6H,1-4H3/b6-5+
InChIKeyYHPRGUPKXINMMY-AATRIKPKSA-N
MW130.26 g/mol
LogP2.91
Rot. Bonds1

About (E)-3,3-dimethyl-1-methylsulfanylbut-1-ene

(E)-3,3-dimethyl-1-methylsulfanylbut-1-ene (PubChem CID 12514290) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is (E)-3,3-dimethyl-1-methylsulfanylbut-1-ene.

Molecular Properties

Compound Name(E)-3,3-dimethyl-1-methylsulfanylbut-1-ene
PubChem CID12514290
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name(E)-3,3-dimethyl-1-methylsulfanylbut-1-ene
SMILESCS/C=C/C(C)(C)C
InChIInChI=1S/C7H14S/c1-7(2,3)5-6-8-4/h5-6H,1-4H3/b6-5+
InChIKeyYHPRGUPKXINMMY-AATRIKPKSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(Methylthio)-1-butene, (1E)-
CID 5368103
1-Buten-1-yl methyl sulfide
CID 519416
1-(Methylthio)-1-butene, (1Z)-
CID 5368102
(E)-1-butylsulfanyl-3,3-dimethylbut-1-ene
CID 12466311
4-Methyl-4h-thiopyran
CID 58281246
i-Pentenyl methyl sulfide
CID 85440589
(E)-1-ethylsulfanyl-3,3-dimethylbut-1-ene
CID 6536388
(E)-1-tert-butylsulfanyl-3,3-dimethylbut-1-ene
CID 12466314
(E)-3-methyl-1-methylsulfanylbut-1-ene
CID 12514288
(1E)-3-methyl-1-methylsulfanylbuta-1,3-diene
CID 14351112
2-Ethenyl-2-methylthiirane
CID 53749545
1-(Methylthio)-1,4-pentadiene
CID 129725195

Frequently Asked Questions

What is the IUPAC name of (E)-3,3-dimethyl-1-methylsulfanylbut-1-ene?
The IUPAC name of (E)-3,3-dimethyl-1-methylsulfanylbut-1-ene (CID 12514290) is (E)-3,3-dimethyl-1-methylsulfanylbut-1-ene.
What is the SMILES notation for (E)-3,3-dimethyl-1-methylsulfanylbut-1-ene?
The canonical SMILES for (E)-3,3-dimethyl-1-methylsulfanylbut-1-ene is CS/C=C/C(C)(C)C.
What is the InChIKey of (E)-3,3-dimethyl-1-methylsulfanylbut-1-ene?
The InChIKey is YHPRGUPKXINMMY-AATRIKPKSA-N. The full InChI is InChI=1S/C7H14S/c1-7(2,3)5-6-8-4/h5-6H,1-4H3/b6-5+.
What are the key properties of (E)-3,3-dimethyl-1-methylsulfanylbut-1-ene?
(E)-3,3-dimethyl-1-methylsulfanylbut-1-ene has a molecular weight of 130.26 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3-dimethyl-1-methylsulfanylbut-1-ene is sourced from PubChem (CID 12514290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).