4-[(2-chlorophenyl)methoxy]-2-methylbenzenecarbothioamide

C15H14ClNOS — CID 81277624

IUPAC4-[(2-chlorophenyl)methoxy]-2-methylbenzenecarbothioamide
SMILESCc1cc(OCc2ccccc2Cl)ccc1C(N)=S
InChIInChI=1S/C15H14ClNOS/c1-10-8-12(6-7-13(10)15(17)19)18-9-11-4-2-3-5-14(11)16/h2-8H,9H2,1H3,(H2,17,19)
InChIKeyMNTZEMMUQAKVSJ-UHFFFAOYSA-N
MW291.80 g/mol
LogP3.86
Rot. Bonds4

About 4-[(2-chlorophenyl)methoxy]-2-methylbenzenecarbothioamide

4-[(2-chlorophenyl)methoxy]-2-methylbenzenecarbothioamide (PubChem CID 81277624) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-2-methylbenzenecarbothioamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-2-methylbenzenecarbothioamide
PubChem CID81277624
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC Name4-[(2-chlorophenyl)methoxy]-2-methylbenzenecarbothioamide
SMILESCc1cc(OCc2ccccc2Cl)ccc1C(N)=S
InChIInChI=1S/C15H14ClNOS/c1-10-8-12(6-7-13(10)15(17)19)18-9-11-4-2-3-5-14(11)16/h2-8H,9H2,1H3,(H2,17,19)
InChIKeyMNTZEMMUQAKVSJ-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 53.86
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

1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone
CID 91864298
4-chloro-2-[(2-chlorophenyl)methoxy]benzenecarbothioamide
CID 63094363
2-chloro-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 19168424
2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 107723647
4-[(3-methoxyphenyl)methoxy]-2-methylbenzenecarbothioamide
CID 81277331
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
CID 60725527
4-[2-(hydroxymethyl)phenoxy]-2-methylbenzenecarbothioamide
CID 81277565
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064
4-[(3,4-dichlorophenoxy)methyl]-3-methylbenzenecarbothioamide
CID 114482249
2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide
CID 61175190
3-chloro-4-[(3-fluoro-4-methylphenoxy)methyl]benzenecarbothioamide
CID 107169335

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-2-methylbenzenecarbothioamide?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-2-methylbenzenecarbothioamide (CID 81277624) is 4-[(2-chlorophenyl)methoxy]-2-methylbenzenecarbothioamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-2-methylbenzenecarbothioamide?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-2-methylbenzenecarbothioamide is Cc1cc(OCc2ccccc2Cl)ccc1C(N)=S.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-2-methylbenzenecarbothioamide?
The InChIKey is MNTZEMMUQAKVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c1-10-8-12(6-7-13(10)15(17)19)18-9-11-4-2-3-5-14(11)16/h2-8H,9H2,1H3,(H2,17,19).
What are the key properties of 4-[(2-chlorophenyl)methoxy]-2-methylbenzenecarbothioamide?
4-[(2-chlorophenyl)methoxy]-2-methylbenzenecarbothioamide has a molecular weight of 291.80 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-2-methylbenzenecarbothioamide is sourced from PubChem (CID 81277624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).