lithium prop-2-enyl N,N-dimethylcarbamodithioate

C6H10LiNS2 — CID 134906513

IUPAClithium prop-2-enyl N,N-dimethylcarbamodithioate
SMILESC=C[CH-]SC(=S)N(C)C.[Li+]
InChIInChI=1S/C6H10NS2.Li/c1-4-5-9-6(8)7(2)3;/h4-5H,1H2,2-3H3;/q-1;+1
InChIKeyAHMPCUPYTYQPLH-UHFFFAOYSA-N
MW167.23 g/mol
LogP-1.08
Rot. Bonds2

About lithium prop-2-enyl N,N-dimethylcarbamodithioate

lithium prop-2-enyl N,N-dimethylcarbamodithioate (PubChem CID 134906513) has the molecular formula C6H10LiNS2 and a molecular weight of 167.23 g/mol. Its IUPAC name is lithium prop-2-enyl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Namelithium prop-2-enyl N,N-dimethylcarbamodithioate
PubChem CID134906513
Molecular FormulaC6H10LiNS2
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Namelithium prop-2-enyl N,N-dimethylcarbamodithioate
SMILESC=C[CH-]SC(=S)N(C)C.[Li+]
InChIInChI=1S/C6H10NS2.Li/c1-4-5-9-6(8)7(2)3;/h4-5H,1H2,2-3H3;/q-1;+1
InChIKeyAHMPCUPYTYQPLH-UHFFFAOYSA-N
XLogP-1.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-1.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium prop-2-enyl N,N-dimethylcarbamodithioate 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

Dimethyldithiocarbamic Acid Allyl Ester
CID 257640
S-Allyl-N,N-diethyldithiocarbamate
CID 524151
crotyl-N,N-dimethyldithiocarbamate
CID 54025393
prop-2-enylsulfanyl N,N-dimethylcarbamodithioate
CID 134988100
(2E)-2-butenyl dimethyldithiocarbamate
CID 13021141
[(Z)-but-2-enyl] N,N-dimethylcarbamodithioate
CID 148315050
[(E)-3-(dimethylcarbamothioylsulfanyl)prop-2-enyl] N,N-dimethylcarbamodithioate
CID 11471528
1-Methyl-2-propenyl dimethyldithiocarbamate
CID 24977332
(2E)-3-(methylsulfanyl)-2-propenyl dimethyldithiocarbamate
CID 24977375
but-3-enyl N,N-dimethylcarbamodithioate
CID 101724807

Frequently Asked Questions

What is the IUPAC name of lithium prop-2-enyl N,N-dimethylcarbamodithioate?
The IUPAC name of lithium prop-2-enyl N,N-dimethylcarbamodithioate (CID 134906513) is lithium prop-2-enyl N,N-dimethylcarbamodithioate.
What is the SMILES notation for lithium prop-2-enyl N,N-dimethylcarbamodithioate?
The canonical SMILES for lithium prop-2-enyl N,N-dimethylcarbamodithioate is C=C[CH-]SC(=S)N(C)C.[Li+].
What is the InChIKey of lithium prop-2-enyl N,N-dimethylcarbamodithioate?
The InChIKey is AHMPCUPYTYQPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NS2.Li/c1-4-5-9-6(8)7(2)3;/h4-5H,1H2,2-3H3;/q-1;+1.
What are the key properties of lithium prop-2-enyl N,N-dimethylcarbamodithioate?
lithium prop-2-enyl N,N-dimethylcarbamodithioate has a molecular weight of 167.23 g/mol, XLogP of -1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium prop-2-enyl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 134906513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).