propyl N,N-diethylcarbamodithioate

C8H17NS2 — CID 519628

IUPACpropyl N,N-diethylcarbamodithioate
SMILESCCCSC(=S)N(CC)CC
InChIInChI=1S/C8H17NS2/c1-4-7-11-8(10)9(5-2)6-3/h4-7H2,1-3H3
InChIKeyYSSAGHQOEYPLQO-UHFFFAOYSA-N
MW191.36 g/mol
LogP2.76
Rot. Bonds4

About propyl N,N-diethylcarbamodithioate

propyl N,N-diethylcarbamodithioate (PubChem CID 519628) has the molecular formula C8H17NS2 and a molecular weight of 191.36 g/mol. Its IUPAC name is propyl N,N-diethylcarbamodithioate.

Molecular Properties

Compound Namepropyl N,N-diethylcarbamodithioate
PubChem CID519628
Molecular FormulaC8H17NS2
Molecular Weight191.36 g/mol
Exact Mass191.08
IUPAC Namepropyl N,N-diethylcarbamodithioate
SMILESCCCSC(=S)N(CC)CC
InChIInChI=1S/C8H17NS2/c1-4-7-11-8(10)9(5-2)6-3/h4-7H2,1-3H3
InChIKeyYSSAGHQOEYPLQO-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.36
LogP ≤ 52.76
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

Ethyl N,N-diethylcarbamodithioate
CID 20855
Butyl diethylcarbamo(dithioperoxo)thioate
CID 20400595
Isopropyl diethylcarbamo(dithioperoxo)thioate
CID 46197112
butan-2-ylsulfanyl N,N-diethylcarbamodithioate
CID 46886844
propylsulfanyl N,N-diethylcarbamodithioate
CID 145989273
1,4-Butanediyl bis(dimethyldithiocarbamate)
CID 82466
Carbamodithioic acid, diethyl-, 1-(methylthio)ethyl ester
CID 3086833
Carbamodithioic acid, diethyl-, 1-((1-methylethyl)thio)ethyl ester
CID 3086834
(Diethylthiocarbamoyl)methylene diethylcarbamodithioate
CID 44550866
N-ethyl-N-(pentylsulfanylmethyl)ethanamine
CID 328287
2-(1,3-dithian-2-yl)ethyl N,N-diethylcarbamodithioate
CID 132014393
2-(1,3-dithiolan-2-yl)ethyl N,N-diethylcarbamodithioate
CID 132014548

Frequently Asked Questions

What is the IUPAC name of propyl N,N-diethylcarbamodithioate?
The IUPAC name of propyl N,N-diethylcarbamodithioate (CID 519628) is propyl N,N-diethylcarbamodithioate.
What is the SMILES notation for propyl N,N-diethylcarbamodithioate?
The canonical SMILES for propyl N,N-diethylcarbamodithioate is CCCSC(=S)N(CC)CC.
What is the InChIKey of propyl N,N-diethylcarbamodithioate?
The InChIKey is YSSAGHQOEYPLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS2/c1-4-7-11-8(10)9(5-2)6-3/h4-7H2,1-3H3.
What are the key properties of propyl N,N-diethylcarbamodithioate?
propyl N,N-diethylcarbamodithioate has a molecular weight of 191.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N,N-diethylcarbamodithioate is sourced from PubChem (CID 519628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).