2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide

C14H11Cl2NOS — CID 62496881

IUPAC2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide
SMILESNC(=S)c1c(Cl)cccc1OCc1ccccc1Cl
InChIInChI=1S/C14H11Cl2NOS/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)
InChIKeyHPCIPZVFHNWTDN-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.21
Rot. Bonds4

About 2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide

2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide (PubChem CID 62496881) has the molecular formula C14H11Cl2NOS and a molecular weight of 312.22 g/mol. Its IUPAC name is 2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide.

Molecular Properties

Compound Name2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide
PubChem CID62496881
Molecular FormulaC14H11Cl2NOS
Molecular Weight312.22 g/mol
Exact Mass310.99
IUPAC Name2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide
SMILESNC(=S)c1c(Cl)cccc1OCc1ccccc1Cl
InChIInChI=1S/C14H11Cl2NOS/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)
InChIKeyHPCIPZVFHNWTDN-UHFFFAOYSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-bromophenyl)methoxy]-6-chlorobenzenecarbothioamide
CID 114322938
2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide
CID 63937150
2-chloro-6-(pyrimidin-2-ylmethoxy)benzenecarbothioamide
CID 113277340
2-[(3-chloro-2-fluorophenyl)methoxy]-6-fluorobenzenecarbothioamide
CID 102855950
2-chloro-6-(2,2,2-trifluoroethoxy)benzenecarbothioamide
CID 62496555
4-chloro-2-[(2-chlorophenyl)methoxy]benzenecarbothioamide
CID 63094363
2-chloro-6-(3-phenylpropoxy)benzenecarbothioamide
CID 62496562
2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluorobenzenecarbothioamide
CID 43609343
2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide
CID 107881174
2-chloro-6-(cyclopropylmethoxy)benzenecarbothioamide
CID 62495370
2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarbothioamide
CID 114322949
2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid
CID 170873582

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide?
The IUPAC name of 2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide (CID 62496881) is 2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide.
What is the SMILES notation for 2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide?
The canonical SMILES for 2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide is NC(=S)c1c(Cl)cccc1OCc1ccccc1Cl.
What is the InChIKey of 2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide?
The InChIKey is HPCIPZVFHNWTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NOS/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-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide?
2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide has a molecular weight of 312.22 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide is sourced from PubChem (CID 62496881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).