ethylsulfanyl N,N-diethylcarbamodithioate

C7H15NS3 — CID 54288916

IUPACethylsulfanyl N,N-diethylcarbamodithioate
SMILESCCSSC(=S)N(CC)CC
InChIInChI=1S/C7H15NS3/c1-4-8(5-2)7(9)11-10-6-3/h4-6H2,1-3H3
InChIKeyRWCSRDDZPMWHEI-UHFFFAOYSA-N
MW209.40 g/mol
LogP3.01
Rot. Bonds4

About ethylsulfanyl N,N-diethylcarbamodithioate

ethylsulfanyl N,N-diethylcarbamodithioate (PubChem CID 54288916) has the molecular formula C7H15NS3 and a molecular weight of 209.40 g/mol. Its IUPAC name is ethylsulfanyl N,N-diethylcarbamodithioate.

Molecular Properties

Compound Nameethylsulfanyl N,N-diethylcarbamodithioate
PubChem CID54288916
Molecular FormulaC7H15NS3
Molecular Weight209.40 g/mol
Exact Mass209.04
IUPAC Nameethylsulfanyl N,N-diethylcarbamodithioate
SMILESCCSSC(=S)N(CC)CC
InChIInChI=1S/C7H15NS3/c1-4-8(5-2)7(9)11-10-6-3/h4-6H2,1-3H3
InChIKeyRWCSRDDZPMWHEI-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylsulfanyl N,N-diethylcarbamodithioate?
The IUPAC name of ethylsulfanyl N,N-diethylcarbamodithioate (CID 54288916) is ethylsulfanyl N,N-diethylcarbamodithioate.
What is the SMILES notation for ethylsulfanyl N,N-diethylcarbamodithioate?
The canonical SMILES for ethylsulfanyl N,N-diethylcarbamodithioate is CCSSC(=S)N(CC)CC.
What is the InChIKey of ethylsulfanyl N,N-diethylcarbamodithioate?
The InChIKey is RWCSRDDZPMWHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS3/c1-4-8(5-2)7(9)11-10-6-3/h4-6H2,1-3H3.
What are the key properties of ethylsulfanyl N,N-diethylcarbamodithioate?
ethylsulfanyl N,N-diethylcarbamodithioate has a molecular weight of 209.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanyl N,N-diethylcarbamodithioate is sourced from PubChem (CID 54288916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).