dimethyl-[(E)-3-methylbut-1-enyl]sulfanium

C7H15S+ — CID 134894450

IUPACdimethyl-[(E)-3-methylbut-1-enyl]sulfanium
SMILESCC(C)/C=C/[S+](C)C
InChIInChI=1S/C7H15S/c1-7(2)5-6-8(3)4/h5-7H,1-4H3/q+1/b6-5+
InChIKeyKFPCJMVUJDJMHJ-AATRIKPKSA-N
MW131.26 g/mol
LogP2.03
Rot. Bonds2

About dimethyl-[(E)-3-methylbut-1-enyl]sulfanium

dimethyl-[(E)-3-methylbut-1-enyl]sulfanium (PubChem CID 134894450) has the molecular formula C7H15S+ and a molecular weight of 131.26 g/mol. Its IUPAC name is dimethyl-[(E)-3-methylbut-1-enyl]sulfanium.

Molecular Properties

Compound Namedimethyl-[(E)-3-methylbut-1-enyl]sulfanium
PubChem CID134894450
Molecular FormulaC7H15S+
Molecular Weight131.26 g/mol
Exact Mass131.09
IUPAC Namedimethyl-[(E)-3-methylbut-1-enyl]sulfanium
SMILESCC(C)/C=C/[S+](C)C
InChIInChI=1S/C7H15S/c1-7(2)5-6-8(3)4/h5-7H,1-4H3/q+1/b6-5+
InChIKeyKFPCJMVUJDJMHJ-AATRIKPKSA-N
XLogP2.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(Methylthio)-1-butene, (1E)-
CID 5368103
Methyl 3-methyl-1-butenyl disulfide
CID 71587664
1-Buten-1-yl methyl sulfide
CID 519416
Butenyl sulfide
CID 53858215
4-(Methylsulfanyl)but-1-ene
CID 548387
(1Z)-1-(Ethylthio)-3-methyl-1,3-butadiene
CID 13115305
1-(Methylthio)-1-butene, (1Z)-
CID 5368102
1,3-Butadiene, 1-(ethylthio)-3-methyl-
CID 5369202
Butenyl ethyl sulfide
CID 142025
1-Ethylthio-3-methyl-1,3-butadiene
CID 567276
(E)-1-methylsulfanylpent-1-ene
CID 13814696
(e)-3-Methyl-1-butene-1-thiol
CID 18671126

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(E)-3-methylbut-1-enyl]sulfanium?
The IUPAC name of dimethyl-[(E)-3-methylbut-1-enyl]sulfanium (CID 134894450) is dimethyl-[(E)-3-methylbut-1-enyl]sulfanium.
What is the SMILES notation for dimethyl-[(E)-3-methylbut-1-enyl]sulfanium?
The canonical SMILES for dimethyl-[(E)-3-methylbut-1-enyl]sulfanium is CC(C)/C=C/[S+](C)C.
What is the InChIKey of dimethyl-[(E)-3-methylbut-1-enyl]sulfanium?
The InChIKey is KFPCJMVUJDJMHJ-AATRIKPKSA-N. The full InChI is InChI=1S/C7H15S/c1-7(2)5-6-8(3)4/h5-7H,1-4H3/q+1/b6-5+.
What are the key properties of dimethyl-[(E)-3-methylbut-1-enyl]sulfanium?
dimethyl-[(E)-3-methylbut-1-enyl]sulfanium has a molecular weight of 131.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(E)-3-methylbut-1-enyl]sulfanium is sourced from PubChem (CID 134894450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).