ethyl N,N-dimethylcarbamodithioate

C5H11NS2 — CID 12042

IUPACethyl N,N-dimethylcarbamodithioate
SMILESCCSC(=S)N(C)C
InChIInChI=1S/C5H11NS2/c1-4-8-5(7)6(2)3/h4H2,1-3H3
InChIKeyVPNCITAAFMVUKG-UHFFFAOYSA-N
MW149.28 g/mol
LogP1.59
Rot. Bonds1

About ethyl N,N-dimethylcarbamodithioate

ethyl N,N-dimethylcarbamodithioate (PubChem CID 12042) has the molecular formula C5H11NS2 and a molecular weight of 149.28 g/mol. Its IUPAC name is ethyl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Nameethyl N,N-dimethylcarbamodithioate
PubChem CID12042
Molecular FormulaC5H11NS2
Molecular Weight149.28 g/mol
Exact Mass149.03
IUPAC Nameethyl N,N-dimethylcarbamodithioate
SMILESCCSC(=S)N(C)C
InChIInChI=1S/C5H11NS2/c1-4-8-5(7)6(2)3/h4H2,1-3H3
InChIKeyVPNCITAAFMVUKG-UHFFFAOYSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 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

Frequently Asked Questions

What is the IUPAC name of ethyl N,N-dimethylcarbamodithioate?
The IUPAC name of ethyl N,N-dimethylcarbamodithioate (CID 12042) is ethyl N,N-dimethylcarbamodithioate.
What is the SMILES notation for ethyl N,N-dimethylcarbamodithioate?
The canonical SMILES for ethyl N,N-dimethylcarbamodithioate is CCSC(=S)N(C)C.
What is the InChIKey of ethyl N,N-dimethylcarbamodithioate?
The InChIKey is VPNCITAAFMVUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS2/c1-4-8-5(7)6(2)3/h4H2,1-3H3.
What are the key properties of ethyl N,N-dimethylcarbamodithioate?
ethyl N,N-dimethylcarbamodithioate has a molecular weight of 149.28 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 12042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).