propyl N-phenyl-N-propylcarbamodithioate

C13H19NS2 — CID 141103527

IUPACpropyl N-phenyl-N-propylcarbamodithioate
SMILESCCCSC(=S)N(CCC)c1ccccc1
InChIInChI=1S/C13H19NS2/c1-3-10-14(13(15)16-11-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyLEEIHVPLBGXLLK-UHFFFAOYSA-N
MW253.44 g/mol
LogP4.33
Rot. Bonds5

About propyl N-phenyl-N-propylcarbamodithioate

propyl N-phenyl-N-propylcarbamodithioate (PubChem CID 141103527) has the molecular formula C13H19NS2 and a molecular weight of 253.44 g/mol. Its IUPAC name is propyl N-phenyl-N-propylcarbamodithioate.

Molecular Properties

Compound Namepropyl N-phenyl-N-propylcarbamodithioate
PubChem CID141103527
Molecular FormulaC13H19NS2
Molecular Weight253.44 g/mol
Exact Mass253.10
IUPAC Namepropyl N-phenyl-N-propylcarbamodithioate
SMILESCCCSC(=S)N(CCC)c1ccccc1
InChIInChI=1S/C13H19NS2/c1-3-10-14(13(15)16-11-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyLEEIHVPLBGXLLK-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.44
LogP ≤ 54.33
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

propyl N-ethyl-N-phenylcarbamodithioate
CID 71384750
2-[ethyl(phenyl)carbamothioyl]sulfanylethyl N-ethyl-N-phenylcarbamodithioate
CID 102275422
3-carbamothioyl-1-phenyl-1-propylthiourea
CID 24835818
N-(3-methylbuta-1,3-dien-2-yl)-N-propylaniline
CID 129113353
3-(ethylcarbamothioyl)-1-phenyl-1-propylthiourea
CID 24835810
N,N-dipropylaniline;ethane
CID 142135231
copper(1+);N-ethyl-N-phenylcarbamodithioate
CID 142768613
3-bromo-N-phenyl-N-propylpropanamide
CID 118001559
phenyl N,N-dipropylcarbamodithioate
CID 132502476
O-ethyl N-butyl-N-phenylcarbamothioate
CID 154107211
1,3-diethyl-1,3-diphenylselenourea
CID 134917239
octyl(phenyl)carbamic acid
CID 54301990

Frequently Asked Questions

What is the IUPAC name of propyl N-phenyl-N-propylcarbamodithioate?
The IUPAC name of propyl N-phenyl-N-propylcarbamodithioate (CID 141103527) is propyl N-phenyl-N-propylcarbamodithioate.
What is the SMILES notation for propyl N-phenyl-N-propylcarbamodithioate?
The canonical SMILES for propyl N-phenyl-N-propylcarbamodithioate is CCCSC(=S)N(CCC)c1ccccc1.
What is the InChIKey of propyl N-phenyl-N-propylcarbamodithioate?
The InChIKey is LEEIHVPLBGXLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS2/c1-3-10-14(13(15)16-11-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of propyl N-phenyl-N-propylcarbamodithioate?
propyl N-phenyl-N-propylcarbamodithioate has a molecular weight of 253.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-phenyl-N-propylcarbamodithioate is sourced from PubChem (CID 141103527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).