ethyl N,N-diethylcarbamodithioate

C7H15NS2 — CID 20855

IUPACethyl N,N-diethylcarbamodithioate
SMILESCCSC(=S)N(CC)CC
InChIInChI=1S/C7H15NS2/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3
InChIKeyRKDROQWWHWDICV-UHFFFAOYSA-N
MW177.34 g/mol
LogP2.37
Rot. Bonds3

About ethyl N,N-diethylcarbamodithioate

ethyl N,N-diethylcarbamodithioate (PubChem CID 20855) has the molecular formula C7H15NS2 and a molecular weight of 177.34 g/mol. Its IUPAC name is ethyl N,N-diethylcarbamodithioate.

Molecular Properties

Compound Nameethyl N,N-diethylcarbamodithioate
PubChem CID20855
Molecular FormulaC7H15NS2
Molecular Weight177.34 g/mol
Exact Mass177.06
IUPAC Nameethyl N,N-diethylcarbamodithioate
SMILESCCSC(=S)N(CC)CC
InChIInChI=1S/C7H15NS2/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3
InChIKeyRKDROQWWHWDICV-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl N,N-diethyldithiocarbamate
CID 12704
Carbamodithioic acid, dimethyl-, ethyl ester
CID 12042
ethylsulfanyl N,N-diethylcarbamodithioate
CID 54288916
S-Propyl N,N-diethyldithiocarbamate
CID 519628
Carbamodithioic acid, diethyl-, 1-(methylthio)ethyl ester
CID 3086833
(Diethylthiocarbamoyl)methylene diethylcarbamodithioate
CID 44550866
ethenyl N,N-diethylcarbamodithioate
CID 3042902
3-Ethylthiazolidine-2,4-dithione
CID 20617898
2-fluoroethyl N,N-diethylcarbamodithioate
CID 59993723
3-Ethyl-1,3-thiazolidine-2-thione
CID 275652
(Diethylamino){2-[(diethylamino)thioxomethylthio]ethylthio}methane-1-thione
CID 303440
S-Isopropyl-N,N-diethyldithiocarbamate
CID 524155

Frequently Asked Questions

What is the IUPAC name of ethyl N,N-diethylcarbamodithioate?
The IUPAC name of ethyl N,N-diethylcarbamodithioate (CID 20855) is ethyl N,N-diethylcarbamodithioate.
What is the SMILES notation for ethyl N,N-diethylcarbamodithioate?
The canonical SMILES for ethyl N,N-diethylcarbamodithioate is CCSC(=S)N(CC)CC.
What is the InChIKey of ethyl N,N-diethylcarbamodithioate?
The InChIKey is RKDROQWWHWDICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS2/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3.
What are the key properties of ethyl N,N-diethylcarbamodithioate?
ethyl N,N-diethylcarbamodithioate has a molecular weight of 177.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N,N-diethylcarbamodithioate is sourced from PubChem (CID 20855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).