propyl N-ethyl-N-phenylcarbamodithioate

C12H17NS2 — CID 71384750

IUPACpropyl N-ethyl-N-phenylcarbamodithioate
SMILESCCCSC(=S)N(CC)c1ccccc1
InChIInChI=1S/C12H17NS2/c1-3-10-15-12(14)13(4-2)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyNWBDJOKMDPGMRL-UHFFFAOYSA-N
MW239.41 g/mol
LogP3.94
Rot. Bonds4

About propyl N-ethyl-N-phenylcarbamodithioate

propyl N-ethyl-N-phenylcarbamodithioate (PubChem CID 71384750) has the molecular formula C12H17NS2 and a molecular weight of 239.41 g/mol. Its IUPAC name is propyl N-ethyl-N-phenylcarbamodithioate.

Molecular Properties

Compound Namepropyl N-ethyl-N-phenylcarbamodithioate
PubChem CID71384750
Molecular FormulaC12H17NS2
Molecular Weight239.41 g/mol
Exact Mass239.08
IUPAC Namepropyl N-ethyl-N-phenylcarbamodithioate
SMILESCCCSC(=S)N(CC)c1ccccc1
InChIInChI=1S/C12H17NS2/c1-3-10-15-12(14)13(4-2)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyNWBDJOKMDPGMRL-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 53.94
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

2-[ethyl(phenyl)carbamothioyl]sulfanylethyl N-ethyl-N-phenylcarbamodithioate
CID 102275422
propyl N-phenyl-N-propylcarbamodithioate
CID 141103527
copper(1+);N-ethyl-N-phenylcarbamodithioate
CID 142768613
1,3-diethyl-1,3-diphenylselenourea
CID 134917239
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
1-ethyl-3-(2-methylpropyl)-1-phenylthiourea
CID 115570335
N-ethyl-N-phenyl-3-phenylsulfanylpropanamide
CID 132965267
N-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide
CID 91710847
N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
N-[ethyl(phenyl)carbamothioyl]-2-fluorobenzamide
CID 4950338
N-ethyl-N-phenyloctadecanamide
CID 151424183
3-carbamothioyl-1-phenyl-1-propylthiourea
CID 24835818

Frequently Asked Questions

What is the IUPAC name of propyl N-ethyl-N-phenylcarbamodithioate?
The IUPAC name of propyl N-ethyl-N-phenylcarbamodithioate (CID 71384750) is propyl N-ethyl-N-phenylcarbamodithioate.
What is the SMILES notation for propyl N-ethyl-N-phenylcarbamodithioate?
The canonical SMILES for propyl N-ethyl-N-phenylcarbamodithioate is CCCSC(=S)N(CC)c1ccccc1.
What is the InChIKey of propyl N-ethyl-N-phenylcarbamodithioate?
The InChIKey is NWBDJOKMDPGMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS2/c1-3-10-15-12(14)13(4-2)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3.
What are the key properties of propyl N-ethyl-N-phenylcarbamodithioate?
propyl N-ethyl-N-phenylcarbamodithioate has a molecular weight of 239.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-ethyl-N-phenylcarbamodithioate is sourced from PubChem (CID 71384750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).