S-propyl N-butyl-N-ethylcarbamothioate

C10H21NOS — CID 14215

IUPACS-propyl N-butyl-N-ethylcarbamothioate
SMILESCCCCN(CC)C(=O)SCCC
InChIInChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3
InChIKeySGEJQUSYQTVSIU-UHFFFAOYSA-N
MW203.35 g/mol
LogP3.37
Rot. Bonds6

About S-propyl N-butyl-N-ethylcarbamothioate

S-propyl N-butyl-N-ethylcarbamothioate (PubChem CID 14215) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is S-propyl N-butyl-N-ethylcarbamothioate.

Molecular Properties

Compound NameS-propyl N-butyl-N-ethylcarbamothioate
PubChem CID14215
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameS-propyl N-butyl-N-ethylcarbamothioate
SMILESCCCCN(CC)C(=O)SCCC
InChIInChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3
InChIKeySGEJQUSYQTVSIU-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'}

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Frequently Asked Questions

What is the IUPAC name of S-propyl N-butyl-N-ethylcarbamothioate?
The IUPAC name of S-propyl N-butyl-N-ethylcarbamothioate (CID 14215) is S-propyl N-butyl-N-ethylcarbamothioate.
What is the SMILES notation for S-propyl N-butyl-N-ethylcarbamothioate?
The canonical SMILES for S-propyl N-butyl-N-ethylcarbamothioate is CCCCN(CC)C(=O)SCCC.
What is the InChIKey of S-propyl N-butyl-N-ethylcarbamothioate?
The InChIKey is SGEJQUSYQTVSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3.
What are the key properties of S-propyl N-butyl-N-ethylcarbamothioate?
S-propyl N-butyl-N-ethylcarbamothioate 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-butyl-N-ethylcarbamothioate is sourced from PubChem (CID 14215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).