4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarbothioamide

C15H14ClNO2S — CID 63093520

IUPAC4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarbothioamide
SMILESCOc1cccc(COc2cc(Cl)ccc2C(N)=S)c1
InChIInChI=1S/C15H14ClNO2S/c1-18-12-4-2-3-10(7-12)9-19-14-8-11(16)5-6-13(14)15(17)20/h2-8H,9H2,1H3,(H2,17,20)
InChIKeyGSGWEADYJBAZRT-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.56
Rot. Bonds5

About 4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarbothioamide

4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarbothioamide (PubChem CID 63093520) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarbothioamide.

Molecular Properties

Compound Name4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarbothioamide
PubChem CID63093520
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarbothioamide
SMILESCOc1cccc(COc2cc(Cl)ccc2C(N)=S)c1
InChIInChI=1S/C15H14ClNO2S/c1-18-12-4-2-3-10(7-12)9-19-14-8-11(16)5-6-13(14)15(17)20/h2-8H,9H2,1H3,(H2,17,20)
InChIKeyGSGWEADYJBAZRT-UHFFFAOYSA-N
XLogP3.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarbothioamide 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

4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76984860
4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 63092175
4-chloro-2-[(3-fluorophenyl)methoxy]benzenecarbothioamide
CID 114323062
2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarbothioamide
CID 82826744
4-[(3-methoxyphenyl)methoxy]-2-methylbenzenecarbothioamide
CID 81277331
5-chloro-2-[(4-methoxyphenyl)methoxy]benzenecarbothioamide
CID 62494579
4-chloro-2-[(4-methylphenyl)methoxy]benzenecarbothioamide
CID 114323054
2-[2-(4-chlorophenoxy)ethoxy]-4-methoxybenzenecarbothioamide
CID 20990454
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
3-[(3-methoxyphenyl)methoxy]pyridazine-4-carbothioamide
CID 80512658
4-[(3,5-dichlorophenoxy)methyl]-2-methoxybenzenecarbothioamide
CID 106789156
4-chloro-2-[(6-methyl-2-pyridinyl)methoxy]benzenecarbothioamide
CID 114323098

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarbothioamide?
The IUPAC name of 4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarbothioamide (CID 63093520) is 4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarbothioamide.
What is the SMILES notation for 4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarbothioamide?
The canonical SMILES for 4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarbothioamide is COc1cccc(COc2cc(Cl)ccc2C(N)=S)c1.
What is the InChIKey of 4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarbothioamide?
The InChIKey is GSGWEADYJBAZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-18-12-4-2-3-10(7-12)9-19-14-8-11(16)5-6-13(14)15(17)20/h2-8H,9H2,1H3,(H2,17,20).
What are the key properties of 4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarbothioamide?
4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarbothioamide has a molecular weight of 307.80 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarbothioamide is sourced from PubChem (CID 63093520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).