S-propyl N,N-dipropylcarbamothioate

C10H21NOS — CID 16003

IUPACS-propyl N,N-dipropylcarbamothioate
SMILESCCCSC(=O)N(CCC)CCC
InChIInChI=1S/C10H21NOS/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-9H2,1-3H3
InChIKeyOKUGPJPKMAEJOE-UHFFFAOYSA-N
MW203.35 g/mol
LogP3.37
Rot. Bonds6

About S-propyl N,N-dipropylcarbamothioate

S-propyl N,N-dipropylcarbamothioate (PubChem CID 16003) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is S-propyl N,N-dipropylcarbamothioate.

Molecular Properties

Compound NameS-propyl N,N-dipropylcarbamothioate
PubChem CID16003
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameS-propyl N,N-dipropylcarbamothioate
SMILESCCCSC(=O)N(CCC)CCC
InChIInChI=1S/C10H21NOS/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-9H2,1-3H3
InChIKeyOKUGPJPKMAEJOE-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze S-propyl N,N-dipropylcarbamothioate 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

Eptam
CID 12968
Butylate
CID 16181
Pebulate
CID 14215
Ethiolate
CID 18055
Tillam sulfoxide
CID 191211
Formamide, 1-(ethylsulfinyl)-N,N-dipropyl-
CID 40160
S-Ethyl N,N-diisopropylthiocarbamate
CID 12877612
Carbamothioic acid, dibutyl-, S-ethyl ester
CID 6451400
S-3-(dimethylamino)butyl dimethylcarbamothioate
CID 44570097
S-Methyl dipropylcarbamothioate
CID 6453274
S-methyl N,N-dibutylcarbamothioate
CID 10726852
S-tert-Butyl dipropylcarbamothioate
CID 20186305

Frequently Asked Questions

What is the IUPAC name of S-propyl N,N-dipropylcarbamothioate?
The IUPAC name of S-propyl N,N-dipropylcarbamothioate (CID 16003) is S-propyl N,N-dipropylcarbamothioate.
What is the SMILES notation for S-propyl N,N-dipropylcarbamothioate?
The canonical SMILES for S-propyl N,N-dipropylcarbamothioate is CCCSC(=O)N(CCC)CCC.
What is the InChIKey of S-propyl N,N-dipropylcarbamothioate?
The InChIKey is OKUGPJPKMAEJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-9H2,1-3H3.
What are the key properties of S-propyl N,N-dipropylcarbamothioate?
S-propyl N,N-dipropylcarbamothioate has a molecular weight of 203.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-propyl N,N-dipropylcarbamothioate is sourced from PubChem (CID 16003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).