4-chloro-2-(2-chloro-5-methylphenoxy)benzenecarbothioamide

C14H11Cl2NOS — CID 63520175

IUPAC4-chloro-2-(2-chloro-5-methylphenoxy)benzenecarbothioamide
SMILESCc1ccc(Cl)c(Oc2cc(Cl)ccc2C(N)=S)c1
InChIInChI=1S/C14H11Cl2NOS/c1-8-2-5-11(16)13(6-8)18-12-7-9(15)3-4-10(12)14(17)19/h2-7H,1H3,(H2,17,19)
InChIKeyQGWYIOSBNFXGOP-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.73
Rot. Bonds3

About 4-chloro-2-(2-chloro-5-methylphenoxy)benzenecarbothioamide

4-chloro-2-(2-chloro-5-methylphenoxy)benzenecarbothioamide (PubChem CID 63520175) has the molecular formula C14H11Cl2NOS and a molecular weight of 312.22 g/mol. Its IUPAC name is 4-chloro-2-(2-chloro-5-methylphenoxy)benzenecarbothioamide.

Molecular Properties

Compound Name4-chloro-2-(2-chloro-5-methylphenoxy)benzenecarbothioamide
PubChem CID63520175
Molecular FormulaC14H11Cl2NOS
Molecular Weight312.22 g/mol
Exact Mass310.99
IUPAC Name4-chloro-2-(2-chloro-5-methylphenoxy)benzenecarbothioamide
SMILESCc1ccc(Cl)c(Oc2cc(Cl)ccc2C(N)=S)c1
InChIInChI=1S/C14H11Cl2NOS/c1-8-2-5-11(16)13(6-8)18-12-7-9(15)3-4-10(12)14(17)19/h2-7H,1H3,(H2,17,19)
InChIKeyQGWYIOSBNFXGOP-UHFFFAOYSA-N
XLogP4.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.73
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

4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarbothioamide
CID 64856176
2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarbothioamide
CID 107658141
4-chloro-2-(4-methylphenoxy)benzenecarbothioamide
CID 63092156
4-chloro-2-(2,3-dimethylphenoxy)benzenecarbothioamide
CID 63518061
5-chloro-2-(2,4,5-trichlorophenoxy)benzenecarbothioamide
CID 63519450
2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide
CID 55057221
2-(3,5-dimethylphenoxy)-4-methylbenzenecarbothioamide
CID 55224434
2-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzenecarbothioamide
CID 64600403
4-chloro-2-[(4-methylphenyl)methoxy]benzenecarbothioamide
CID 114323054
4-methyl-2-(3-methylphenoxy)benzenecarbothioamide
CID 62301443
4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide
CID 64855794
2-(4-bromophenoxy)-4-chlorobenzenecarbothioamide
CID 63519808

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloro-5-methylphenoxy)benzenecarbothioamide?
The IUPAC name of 4-chloro-2-(2-chloro-5-methylphenoxy)benzenecarbothioamide (CID 63520175) is 4-chloro-2-(2-chloro-5-methylphenoxy)benzenecarbothioamide.
What is the SMILES notation for 4-chloro-2-(2-chloro-5-methylphenoxy)benzenecarbothioamide?
The canonical SMILES for 4-chloro-2-(2-chloro-5-methylphenoxy)benzenecarbothioamide is Cc1ccc(Cl)c(Oc2cc(Cl)ccc2C(N)=S)c1.
What is the InChIKey of 4-chloro-2-(2-chloro-5-methylphenoxy)benzenecarbothioamide?
The InChIKey is QGWYIOSBNFXGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NOS/c1-8-2-5-11(16)13(6-8)18-12-7-9(15)3-4-10(12)14(17)19/h2-7H,1H3,(H2,17,19).
What are the key properties of 4-chloro-2-(2-chloro-5-methylphenoxy)benzenecarbothioamide?
4-chloro-2-(2-chloro-5-methylphenoxy)benzenecarbothioamide has a molecular weight of 312.22 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chloro-5-methylphenoxy)benzenecarbothioamide is sourced from PubChem (CID 63520175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).