2-chloro-6-(4-methoxyphenoxy)benzenecarbothioamide

C14H12ClNO2S — CID 62497049

IUPAC2-chloro-6-(4-methoxyphenoxy)benzenecarbothioamide
SMILESCOc1ccc(Oc2cccc(Cl)c2C(N)=S)cc1
InChIInChI=1S/C14H12ClNO2S/c1-17-9-5-7-10(8-6-9)18-12-4-2-3-11(15)13(12)14(16)19/h2-8H,1H3,(H2,16,19)
InChIKeyVDVJHBSBVXJFFA-UHFFFAOYSA-N
MW293.78 g/mol
LogP3.78
Rot. Bonds4

About 2-chloro-6-(4-methoxyphenoxy)benzenecarbothioamide

2-chloro-6-(4-methoxyphenoxy)benzenecarbothioamide (PubChem CID 62497049) has the molecular formula C14H12ClNO2S and a molecular weight of 293.78 g/mol. Its IUPAC name is 2-chloro-6-(4-methoxyphenoxy)benzenecarbothioamide.

Molecular Properties

Compound Name2-chloro-6-(4-methoxyphenoxy)benzenecarbothioamide
PubChem CID62497049
Molecular FormulaC14H12ClNO2S
Molecular Weight293.78 g/mol
Exact Mass293.03
IUPAC Name2-chloro-6-(4-methoxyphenoxy)benzenecarbothioamide
SMILESCOc1ccc(Oc2cccc(Cl)c2C(N)=S)cc1
InChIInChI=1S/C14H12ClNO2S/c1-17-9-5-7-10(8-6-9)18-12-4-2-3-11(15)13(12)14(16)19/h2-8H,1H3,(H2,16,19)
InChIKeyVDVJHBSBVXJFFA-UHFFFAOYSA-N
XLogP3.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(3,5-dimethoxyphenoxy)benzenecarbothioamide
CID 62497559
2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarbothioamide
CID 62495368
4-(2-carbamothioyl-3-chlorophenoxy)benzamide
CID 62495878
2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide
CID 116792751
2-(2-bromophenoxy)-6-chlorobenzenecarbothioamide
CID 55079385
2-chloro-6-quinolin-3-yloxybenzenecarbothioamide
CID 107387145
2-chloro-6-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzenecarbothioamide
CID 82887239
2-(3-bromo-5-fluorophenoxy)-6-chlorobenzenecarbothioamide
CID 81332264
2-chloro-6-(3,5-dimethoxyanilino)benzenecarbothioamide
CID 62501088
2-(4-bromophenoxy)-6-chlorobenzamide
CID 62500569
2-bromo-6-(3,4-dichlorophenoxy)benzenecarbothioamide
CID 114882922
2-chloro-6-(2,5-dimethylpyrazol-3-yl)oxybenzenecarbothioamide
CID 81346149

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-methoxyphenoxy)benzenecarbothioamide?
The IUPAC name of 2-chloro-6-(4-methoxyphenoxy)benzenecarbothioamide (CID 62497049) is 2-chloro-6-(4-methoxyphenoxy)benzenecarbothioamide.
What is the SMILES notation for 2-chloro-6-(4-methoxyphenoxy)benzenecarbothioamide?
The canonical SMILES for 2-chloro-6-(4-methoxyphenoxy)benzenecarbothioamide is COc1ccc(Oc2cccc(Cl)c2C(N)=S)cc1.
What is the InChIKey of 2-chloro-6-(4-methoxyphenoxy)benzenecarbothioamide?
The InChIKey is VDVJHBSBVXJFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2S/c1-17-9-5-7-10(8-6-9)18-12-4-2-3-11(15)13(12)14(16)19/h2-8H,1H3,(H2,16,19).
What are the key properties of 2-chloro-6-(4-methoxyphenoxy)benzenecarbothioamide?
2-chloro-6-(4-methoxyphenoxy)benzenecarbothioamide has a molecular weight of 293.78 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-methoxyphenoxy)benzenecarbothioamide is sourced from PubChem (CID 62497049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).