lithium 3-(deuteriomethylsulfanyl)prop-1-ene

C4H7LiS — CID 71507025

IUPAClithium 3-(deuteriomethylsulfanyl)prop-1-ene
SMILES[2H][CH-]SCC=C.[Li+]
InChIInChI=1S/C4H7S.Li/c1-3-4-5-2;/h3H,1-2,4H2;/q-1;+1/i2D;
InChIKeyYIMOPLFSIWDFKJ-YPAXDSTQSA-N
MW95.11 g/mol
LogP-1.30
Rot. Bonds3

About lithium 3-(deuteriomethylsulfanyl)prop-1-ene

lithium 3-(deuteriomethylsulfanyl)prop-1-ene (PubChem CID 71507025) has the molecular formula C4H7LiS and a molecular weight of 95.11 g/mol. Its IUPAC name is lithium 3-(deuteriomethylsulfanyl)prop-1-ene.

Molecular Properties

Compound Namelithium 3-(deuteriomethylsulfanyl)prop-1-ene
PubChem CID71507025
Molecular FormulaC4H7LiS
Molecular Weight95.11 g/mol
Exact Mass95.05
IUPAC Namelithium 3-(deuteriomethylsulfanyl)prop-1-ene
SMILES[2H][CH-]SCC=C.[Li+]
InChIInChI=1S/C4H7S.Li/c1-3-4-5-2;/h3H,1-2,4H2;/q-1;+1/i2D;
InChIKeyYIMOPLFSIWDFKJ-YPAXDSTQSA-N
XLogP-1.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.11
LogP ≤ 5-1.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze lithium 3-(deuteriomethylsulfanyl)prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-sulfosulfanylprop-1-ene
CID 10582995
lithium hex-1-ene
CID 10964413
2-methyl-3-prop-2-enylsulfanylprop-1-ene
CID 10953531
2,5-bis(prop-2-enylsulfanyl)hex-3-yne
CID 10962296
3-prop-2-enylsulfanyl(314C)prop-1-ene
CID 173079528
chloro-bis(prop-2-enylsulfanyl)phosphane
CID 23280620
trimethyl(prop-2-enylsulfanyl)azanium
CID 174540923
copper(1+);pent-1-ene
CID 11029887
3-prop-2-enylsulfanylprop-1-ene;urea
CID 174462951
3-(2-ethylsulfanylethylsulfanyl)prop-1-ene
CID 131107230
sodium prop-2-enylsulfanyl sulfate
CID 23674984
prop-2-enyl N-methylmethanimidothioate
CID 163608318

Frequently Asked Questions

What is the IUPAC name of lithium 3-(deuteriomethylsulfanyl)prop-1-ene?
The IUPAC name of lithium 3-(deuteriomethylsulfanyl)prop-1-ene (CID 71507025) is lithium 3-(deuteriomethylsulfanyl)prop-1-ene.
What is the SMILES notation for lithium 3-(deuteriomethylsulfanyl)prop-1-ene?
The canonical SMILES for lithium 3-(deuteriomethylsulfanyl)prop-1-ene is [2H][CH-]SCC=C.[Li+].
What is the InChIKey of lithium 3-(deuteriomethylsulfanyl)prop-1-ene?
The InChIKey is YIMOPLFSIWDFKJ-YPAXDSTQSA-N. The full InChI is InChI=1S/C4H7S.Li/c1-3-4-5-2;/h3H,1-2,4H2;/q-1;+1/i2D;.
What are the key properties of lithium 3-(deuteriomethylsulfanyl)prop-1-ene?
lithium 3-(deuteriomethylsulfanyl)prop-1-ene has a molecular weight of 95.11 g/mol, XLogP of -1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-(deuteriomethylsulfanyl)prop-1-ene is sourced from PubChem (CID 71507025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).