methyl N-formyl-N-(4-methoxyphenyl)carbamodithioate

C10H11NO2S2 — CID 932336

IUPACmethyl N-formyl-N-(4-methoxyphenyl)carbamodithioate
SMILESCOc1ccc(N(C=O)C(=S)SC)cc1
InChIInChI=1S/C10H11NO2S2/c1-13-9-5-3-8(4-6-9)11(7-12)10(14)15-2/h3-7H,1-2H3
InChIKeyQSDOJOLUFJQAQR-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.31
Rot. Bonds3

About methyl N-formyl-N-(4-methoxyphenyl)carbamodithioate

methyl N-formyl-N-(4-methoxyphenyl)carbamodithioate (PubChem CID 932336) has the molecular formula C10H11NO2S2 and a molecular weight of 241.34 g/mol. Its IUPAC name is methyl N-formyl-N-(4-methoxyphenyl)carbamodithioate.

Molecular Properties

Compound Namemethyl N-formyl-N-(4-methoxyphenyl)carbamodithioate
PubChem CID932336
Molecular FormulaC10H11NO2S2
Molecular Weight241.34 g/mol
Exact Mass241.02
IUPAC Namemethyl N-formyl-N-(4-methoxyphenyl)carbamodithioate
SMILESCOc1ccc(N(C=O)C(=S)SC)cc1
InChIInChI=1S/C10H11NO2S2/c1-13-9-5-3-8(4-6-9)11(7-12)10(14)15-2/h3-7H,1-2H3
InChIKeyQSDOJOLUFJQAQR-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl N-formyl-N-(4-methoxyphenyl)carbamodithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-Methoxyphenyl)formamide
CID 79616
3-(p-Ethoxyphenyl)-rhodanine
CID 98711
4-Methoxy-N,N-dimethylbenzenamine
CID 69700
Pyrrolidine, 1-(4-methoxyphenyl)-
CID 143187
Ethyl 3-(4-methoxyphenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
CID 741661
3-(4-Methoxyphenyl)-1,3-thiazole-2-thione
CID 741660
1-(4-Methoxyphenyl)-1H-pyrrole-2,5-dione
CID 236788
N-(4-methoxyphenyl)-2-sulfanylacetamide
CID 715342
4-methoxy-N-methyl-N-(trifluoromethyl)aniline
CID 15363790
Acetamide, N-(4-methoxyphenyl)-N-methyl-
CID 142032
p-ACETOPHENETIDIDE, N-ETHYL-
CID 48371
1-(p-Anisyl)-2-thiosuccinimide
CID 77827

Frequently Asked Questions

What is the IUPAC name of methyl N-formyl-N-(4-methoxyphenyl)carbamodithioate?
The IUPAC name of methyl N-formyl-N-(4-methoxyphenyl)carbamodithioate (CID 932336) is methyl N-formyl-N-(4-methoxyphenyl)carbamodithioate.
What is the SMILES notation for methyl N-formyl-N-(4-methoxyphenyl)carbamodithioate?
The canonical SMILES for methyl N-formyl-N-(4-methoxyphenyl)carbamodithioate is COc1ccc(N(C=O)C(=S)SC)cc1.
What is the InChIKey of methyl N-formyl-N-(4-methoxyphenyl)carbamodithioate?
The InChIKey is QSDOJOLUFJQAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S2/c1-13-9-5-3-8(4-6-9)11(7-12)10(14)15-2/h3-7H,1-2H3.
What are the key properties of methyl N-formyl-N-(4-methoxyphenyl)carbamodithioate?
methyl N-formyl-N-(4-methoxyphenyl)carbamodithioate has a molecular weight of 241.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-formyl-N-(4-methoxyphenyl)carbamodithioate is sourced from PubChem (CID 932336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).