methyl N-phenyl-N-propylcarbamodithioate

C11H15NS2 — CID 131856383

IUPACmethyl N-phenyl-N-propylcarbamodithioate
SMILESCCCN(C(=S)SC)c1ccccc1
InChIInChI=1S/C11H15NS2/c1-3-9-12(11(13)14-2)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeyPQOCBZCJFASQDA-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.55
Rot. Bonds3

About methyl N-phenyl-N-propylcarbamodithioate

methyl N-phenyl-N-propylcarbamodithioate (PubChem CID 131856383) has the molecular formula C11H15NS2 and a molecular weight of 225.38 g/mol. Its IUPAC name is methyl N-phenyl-N-propylcarbamodithioate.

Molecular Properties

Compound Namemethyl N-phenyl-N-propylcarbamodithioate
PubChem CID131856383
Molecular FormulaC11H15NS2
Molecular Weight225.38 g/mol
Exact Mass225.06
IUPAC Namemethyl N-phenyl-N-propylcarbamodithioate
SMILESCCCN(C(=S)SC)c1ccccc1
InChIInChI=1S/C11H15NS2/c1-3-9-12(11(13)14-2)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeyPQOCBZCJFASQDA-UHFFFAOYSA-N
XLogP3.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.55
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

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CID 949
N,N-Diethylaniline
CID 7061
Trimethylphenylammonium iodide
CID 94135
Phenyltrimethylammonium chloride
CID 67309
1,2-Ethanediamine, N1-ethyl-N2,N2-dimethyl-N1-phenyl-
CID 33984
3-(Ethylphenylamino)propanenitrile
CID 8995
Trimethylphenylammonium hydroxide
CID 15913
Phenyltrimethylammonium bromide
CID 27663
N,N-Dibutylaniline
CID 61154
Zinc ethylphenylthiocarbamate
CID 61753
N,N'-dimethyldiphenylthiuram disulphide
CID 82747
Thiourea, N-ethyl-N-phenyl-
CID 825369

Frequently Asked Questions

What is the IUPAC name of methyl N-phenyl-N-propylcarbamodithioate?
The IUPAC name of methyl N-phenyl-N-propylcarbamodithioate (CID 131856383) is methyl N-phenyl-N-propylcarbamodithioate.
What is the SMILES notation for methyl N-phenyl-N-propylcarbamodithioate?
The canonical SMILES for methyl N-phenyl-N-propylcarbamodithioate is CCCN(C(=S)SC)c1ccccc1.
What is the InChIKey of methyl N-phenyl-N-propylcarbamodithioate?
The InChIKey is PQOCBZCJFASQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS2/c1-3-9-12(11(13)14-2)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3.
What are the key properties of methyl N-phenyl-N-propylcarbamodithioate?
methyl N-phenyl-N-propylcarbamodithioate has a molecular weight of 225.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-phenyl-N-propylcarbamodithioate is sourced from PubChem (CID 131856383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).