2-[(2-bromophenyl)methoxy]-6-chlorobenzenecarbothioamide

C14H11BrClNOS — CID 114322938

IUPAC2-[(2-bromophenyl)methoxy]-6-chlorobenzenecarbothioamide
SMILESNC(=S)c1c(Cl)cccc1OCc1ccccc1Br
InChIInChI=1S/C14H11BrClNOS/c15-10-5-2-1-4-9(10)8-18-12-7-3-6-11(16)13(12)14(17)19/h1-7H,8H2,(H2,17,19)
InChIKeyFCLSHHAUAUEORC-UHFFFAOYSA-N
MW356.67 g/mol
LogP4.32
Rot. Bonds4

About 2-[(2-bromophenyl)methoxy]-6-chlorobenzenecarbothioamide

2-[(2-bromophenyl)methoxy]-6-chlorobenzenecarbothioamide (PubChem CID 114322938) has the molecular formula C14H11BrClNOS and a molecular weight of 356.67 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]-6-chlorobenzenecarbothioamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]-6-chlorobenzenecarbothioamide
PubChem CID114322938
Molecular FormulaC14H11BrClNOS
Molecular Weight356.67 g/mol
Exact Mass354.94
IUPAC Name2-[(2-bromophenyl)methoxy]-6-chlorobenzenecarbothioamide
SMILESNC(=S)c1c(Cl)cccc1OCc1ccccc1Br
InChIInChI=1S/C14H11BrClNOS/c15-10-5-2-1-4-9(10)8-18-12-7-3-6-11(16)13(12)14(17)19/h1-7H,8H2,(H2,17,19)
InChIKeyFCLSHHAUAUEORC-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2-bromophenyl)methoxy]-6-chlorobenzenecarbothioamide 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

2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide
CID 62496881
2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide
CID 63937150
2-chloro-6-(pyrimidin-2-ylmethoxy)benzenecarbothioamide
CID 113277340
2-(2-bromophenoxy)-6-chlorobenzenecarbothioamide
CID 55079385
2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarbothioamide
CID 114322949
2-[(3-chloro-2-fluorophenyl)methoxy]-6-fluorobenzenecarbothioamide
CID 102855950
2-chloro-6-(2,2,2-trifluoroethoxy)benzenecarbothioamide
CID 62496555
2-chloro-6-(3-phenylpropoxy)benzenecarbothioamide
CID 62496562
2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide
CID 107881174
1-[2-[(2-bromophenyl)methoxy]-6-chlorophenyl]propan-2-amine
CID 114321926
2-chloro-6-(cyclopropylmethoxy)benzenecarbothioamide
CID 62495370
1-[(2-bromophenyl)methoxy]-3-chloro-2-nitrobenzene
CID 104835460

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]-6-chlorobenzenecarbothioamide?
The IUPAC name of 2-[(2-bromophenyl)methoxy]-6-chlorobenzenecarbothioamide (CID 114322938) is 2-[(2-bromophenyl)methoxy]-6-chlorobenzenecarbothioamide.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]-6-chlorobenzenecarbothioamide?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]-6-chlorobenzenecarbothioamide is NC(=S)c1c(Cl)cccc1OCc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]-6-chlorobenzenecarbothioamide?
The InChIKey is FCLSHHAUAUEORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNOS/c15-10-5-2-1-4-9(10)8-18-12-7-3-6-11(16)13(12)14(17)19/h1-7H,8H2,(H2,17,19).
What are the key properties of 2-[(2-bromophenyl)methoxy]-6-chlorobenzenecarbothioamide?
2-[(2-bromophenyl)methoxy]-6-chlorobenzenecarbothioamide has a molecular weight of 356.67 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]-6-chlorobenzenecarbothioamide is sourced from PubChem (CID 114322938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).