trimethyl(2-sulfanylethyl)phosphanium chloride

C5H14ClPS — CID 88852671

IUPACtrimethyl(2-sulfanylethyl)phosphanium chloride
SMILESC[P+](C)(C)CCS.[Cl-]
InChIInChI=1S/C5H13PS.ClH/c1-6(2,3)4-5-7;/h4-5H2,1-3H3;1H
InChIKeyIAVVKRWGSMLSBJ-UHFFFAOYSA-N
MW172.66 g/mol
LogP-1.17
Rot. Bonds2

About trimethyl(2-sulfanylethyl)phosphanium chloride

trimethyl(2-sulfanylethyl)phosphanium chloride (PubChem CID 88852671) has the molecular formula C5H14ClPS and a molecular weight of 172.66 g/mol. Its IUPAC name is trimethyl(2-sulfanylethyl)phosphanium chloride.

Molecular Properties

Compound Nametrimethyl(2-sulfanylethyl)phosphanium chloride
PubChem CID88852671
Molecular FormulaC5H14ClPS
Molecular Weight172.66 g/mol
Exact Mass172.02
IUPAC Nametrimethyl(2-sulfanylethyl)phosphanium chloride
SMILESC[P+](C)(C)CCS.[Cl-]
InChIInChI=1S/C5H13PS.ClH/c1-6(2,3)4-5-7;/h4-5H2,1-3H3;1H
InChIKeyIAVVKRWGSMLSBJ-UHFFFAOYSA-N
XLogP-1.17
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.66
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

butane-1,3-dithiol
CID 520119
3-fluorobutane-1-thiol
CID 57270000
3,4-dimethylpentane-1-thiol
CID 87431399
3,5-dimethyl-4-propan-2-ylhexane-1-thiol
CID 123460007
trimethyl(propyl)phosphanium chloride
CID 87777347
3-methylsulfanylbutane-1-thiol
CID 173367165
4-methyl-3-(methylamino)pentane-1-thiol
CID 116831345
pentane-1,3,5-trithiol
CID 19807040
hexane-1,3,4,6-tetrathiol
CID 57180046
5-methylhexane-1-thiol
CID 18699074
5,9-dimethyl-11-sulfanylundecan-2-one
CID 121451514
2-bromoethyl(trimethyl)phosphanium
CID 22909796

Frequently Asked Questions

What is the IUPAC name of trimethyl(2-sulfanylethyl)phosphanium chloride?
The IUPAC name of trimethyl(2-sulfanylethyl)phosphanium chloride (CID 88852671) is trimethyl(2-sulfanylethyl)phosphanium chloride.
What is the SMILES notation for trimethyl(2-sulfanylethyl)phosphanium chloride?
The canonical SMILES for trimethyl(2-sulfanylethyl)phosphanium chloride is C[P+](C)(C)CCS.[Cl-].
What is the InChIKey of trimethyl(2-sulfanylethyl)phosphanium chloride?
The InChIKey is IAVVKRWGSMLSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13PS.ClH/c1-6(2,3)4-5-7;/h4-5H2,1-3H3;1H.
What are the key properties of trimethyl(2-sulfanylethyl)phosphanium chloride?
trimethyl(2-sulfanylethyl)phosphanium chloride has a molecular weight of 172.66 g/mol, XLogP of -1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-sulfanylethyl)phosphanium chloride is sourced from PubChem (CID 88852671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).