5-chloro-N-(4-chlorophenyl)-2-methoxybenzenecarbothioamide

C14H11Cl2NOS — CID 70682730

IUPAC5-chloro-N-(4-chlorophenyl)-2-methoxybenzenecarbothioamide
SMILESCOc1ccc(Cl)cc1C(=S)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl2NOS/c1-18-13-7-4-10(16)8-12(13)14(19)17-11-5-2-9(15)3-6-11/h2-8H,1H3,(H,17,19)
InChIKeyZNZWFSOIQYPHMF-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.79
Rot. Bonds3

About 5-chloro-N-(4-chlorophenyl)-2-methoxybenzenecarbothioamide

5-chloro-N-(4-chlorophenyl)-2-methoxybenzenecarbothioamide (PubChem CID 70682730) has the molecular formula C14H11Cl2NOS and a molecular weight of 312.22 g/mol. Its IUPAC name is 5-chloro-N-(4-chlorophenyl)-2-methoxybenzenecarbothioamide.

Molecular Properties

Compound Name5-chloro-N-(4-chlorophenyl)-2-methoxybenzenecarbothioamide
PubChem CID70682730
Molecular FormulaC14H11Cl2NOS
Molecular Weight312.22 g/mol
Exact Mass310.99
IUPAC Name5-chloro-N-(4-chlorophenyl)-2-methoxybenzenecarbothioamide
SMILESCOc1ccc(Cl)cc1C(=S)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl2NOS/c1-18-13-7-4-10(16)8-12(13)14(19)17-11-5-2-9(15)3-6-11/h2-8H,1H3,(H,17,19)
InChIKeyZNZWFSOIQYPHMF-UHFFFAOYSA-N
XLogP4.79
TPSA21.26 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 ≤ 54.79
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

5-chloro-N-(2-ethylphenyl)-2-methoxybenzenecarbothioamide
CID 132536120
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 7581899
2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
CID 4077998
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-chloro-N-[(3,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide
CID 1121132
5-chloro-2-methoxybenzoate
CID 6933314
4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene
CID 3015769
[2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2615045
5-chloro-2-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 1143892
5-chloro-N-[[4-(diethylaminomethyl)phenyl]carbamothioyl]-2-methoxybenzamide
CID 19631475

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chlorophenyl)-2-methoxybenzenecarbothioamide?
The IUPAC name of 5-chloro-N-(4-chlorophenyl)-2-methoxybenzenecarbothioamide (CID 70682730) is 5-chloro-N-(4-chlorophenyl)-2-methoxybenzenecarbothioamide.
What is the SMILES notation for 5-chloro-N-(4-chlorophenyl)-2-methoxybenzenecarbothioamide?
The canonical SMILES for 5-chloro-N-(4-chlorophenyl)-2-methoxybenzenecarbothioamide is COc1ccc(Cl)cc1C(=S)Nc1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-N-(4-chlorophenyl)-2-methoxybenzenecarbothioamide?
The InChIKey is ZNZWFSOIQYPHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NOS/c1-18-13-7-4-10(16)8-12(13)14(19)17-11-5-2-9(15)3-6-11/h2-8H,1H3,(H,17,19).
What are the key properties of 5-chloro-N-(4-chlorophenyl)-2-methoxybenzenecarbothioamide?
5-chloro-N-(4-chlorophenyl)-2-methoxybenzenecarbothioamide has a molecular weight of 312.22 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chlorophenyl)-2-methoxybenzenecarbothioamide is sourced from PubChem (CID 70682730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).