N'-(2-methoxyphenyl)propanedithioamide

C10H12N2OS2 — CID 86107307

IUPACN'-(2-methoxyphenyl)propanedithioamide
SMILESCOc1ccccc1NC(=S)CC(N)=S
InChIInChI=1S/C10H12N2OS2/c1-13-8-5-3-2-4-7(8)12-10(15)6-9(11)14/h2-5H,6H2,1H3,(H2,11,14)(H,12,15)
InChIKeyNYEBPPLQERVOAS-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.11
Rot. Bonds4

About N'-(2-methoxyphenyl)propanedithioamide

N'-(2-methoxyphenyl)propanedithioamide (PubChem CID 86107307) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)propanedithioamide.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)propanedithioamide
PubChem CID86107307
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC NameN'-(2-methoxyphenyl)propanedithioamide
SMILESCOc1ccccc1NC(=S)CC(N)=S
InChIInChI=1S/C10H12N2OS2/c1-13-8-5-3-2-4-7(8)12-10(15)6-9(11)14/h2-5H,6H2,1H3,(H2,11,14)(H,12,15)
InChIKeyNYEBPPLQERVOAS-UHFFFAOYSA-N
XLogP2.11
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyanilino)-2-sulfanylideneacetamide
CID 15526121
N-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide
CID 43316144
ethane;(2-methoxyphenyl)urea
CID 143063924
1-ethyl-3-(2-methoxyphenyl)thiourea
CID 686501
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
3-amino-N-(2-methoxyphenyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62877208
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511
1,1-dibenzyl-3-(2-methoxyphenyl)thiourea
CID 3583218
2-(diaminomethylideneamino)-N-(2-methoxyphenyl)acetamide
CID 4991836
1-[2,5-dichloro-4-[(2-methoxyphenyl)carbamothioylamino]phenyl]-3-(2-methoxyphenyl)thiourea
CID 1252379
1-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)-1-methylthiourea
CID 23820427
1-(2-methoxyphenyl)-3-(2,2,2-trifluoroethylamino)thiourea
CID 134118831

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)propanedithioamide?
The IUPAC name of N'-(2-methoxyphenyl)propanedithioamide (CID 86107307) is N'-(2-methoxyphenyl)propanedithioamide.
What is the SMILES notation for N'-(2-methoxyphenyl)propanedithioamide?
The canonical SMILES for N'-(2-methoxyphenyl)propanedithioamide is COc1ccccc1NC(=S)CC(N)=S.
What is the InChIKey of N'-(2-methoxyphenyl)propanedithioamide?
The InChIKey is NYEBPPLQERVOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS2/c1-13-8-5-3-2-4-7(8)12-10(15)6-9(11)14/h2-5H,6H2,1H3,(H2,11,14)(H,12,15).
What are the key properties of N'-(2-methoxyphenyl)propanedithioamide?
N'-(2-methoxyphenyl)propanedithioamide has a molecular weight of 240.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)propanedithioamide is sourced from PubChem (CID 86107307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).