dimethyl(prop-2-enyl)sulfanium chloride

C5H11ClS — CID 19842909

IUPACdimethyl(prop-2-enyl)sulfanium chloride
SMILESC=CC[S+](C)C.[Cl-]
InChIInChI=1S/C5H11S.ClH/c1-4-5-6(2)3;/h4H,1,5H2,2-3H3;1H/q+1;/p-1
InChIKeyXMMYZCMZZJBJDR-UHFFFAOYSA-M
MW138.66 g/mol
LogP-1.95
Rot. Bonds2

About dimethyl(prop-2-enyl)sulfanium chloride

dimethyl(prop-2-enyl)sulfanium chloride (PubChem CID 19842909) has the molecular formula C5H11ClS and a molecular weight of 138.66 g/mol. Its IUPAC name is dimethyl(prop-2-enyl)sulfanium chloride.

Molecular Properties

Compound Namedimethyl(prop-2-enyl)sulfanium chloride
PubChem CID19842909
Molecular FormulaC5H11ClS
Molecular Weight138.66 g/mol
Exact Mass138.03
IUPAC Namedimethyl(prop-2-enyl)sulfanium chloride
SMILESC=CC[S+](C)C.[Cl-]
InChIInChI=1S/C5H11S.ClH/c1-4-5-6(2)3;/h4H,1,5H2,2-3H3;1H/q+1;/p-1
InChIKeyXMMYZCMZZJBJDR-UHFFFAOYSA-M
XLogP-1.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.66
LogP ≤ 5-1.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Diallyl Sulfide
CID 11617
Allyl methyl sulfide
CID 66282
Methyl 1-propenyl sulfide
CID 637915
3-(Propylthio)propene
CID 98781
Di-1-propenyl sulfide
CID 5370448
1-Propenyl propyl sulfide
CID 5366861
1-(Methylthio)ethyl 2-propenyl disulfide
CID 6429018
1-Propene-1-one, 3-(ethylthio)-
CID 123229
Allyl sec-butyl sulfide
CID 144394
Methyl 1-propenyl sulfide, (1Z)-
CID 5364225
5,5-Dimethyl-4-thia-1-hexene
CID 142217
Allyl isopropyl sulfide
CID 521309

Frequently Asked Questions

What is the IUPAC name of dimethyl(prop-2-enyl)sulfanium chloride?
The IUPAC name of dimethyl(prop-2-enyl)sulfanium chloride (CID 19842909) is dimethyl(prop-2-enyl)sulfanium chloride.
What is the SMILES notation for dimethyl(prop-2-enyl)sulfanium chloride?
The canonical SMILES for dimethyl(prop-2-enyl)sulfanium chloride is C=CC[S+](C)C.[Cl-].
What is the InChIKey of dimethyl(prop-2-enyl)sulfanium chloride?
The InChIKey is XMMYZCMZZJBJDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11S.ClH/c1-4-5-6(2)3;/h4H,1,5H2,2-3H3;1H/q+1;/p-1.
What are the key properties of dimethyl(prop-2-enyl)sulfanium chloride?
dimethyl(prop-2-enyl)sulfanium chloride has a molecular weight of 138.66 g/mol, XLogP of -1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(prop-2-enyl)sulfanium chloride is sourced from PubChem (CID 19842909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).