4-(2,4-difluorophenoxy)-2-methylbenzenecarbothioamide

C14H11F2NOS — CID 81277855

IUPAC4-(2,4-difluorophenoxy)-2-methylbenzenecarbothioamide
SMILESCc1cc(Oc2ccc(F)cc2F)ccc1C(N)=S
InChIInChI=1S/C14H11F2NOS/c1-8-6-10(3-4-11(8)14(17)19)18-13-5-2-9(15)7-12(13)16/h2-7H,1H3,(H2,17,19)
InChIKeySHUGHRWLYYFZEB-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.70
Rot. Bonds3

About 4-(2,4-difluorophenoxy)-2-methylbenzenecarbothioamide

4-(2,4-difluorophenoxy)-2-methylbenzenecarbothioamide (PubChem CID 81277855) has the molecular formula C14H11F2NOS and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-2-methylbenzenecarbothioamide.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-2-methylbenzenecarbothioamide
PubChem CID81277855
Molecular FormulaC14H11F2NOS
Molecular Weight279.31 g/mol
Exact Mass279.05
IUPAC Name4-(2,4-difluorophenoxy)-2-methylbenzenecarbothioamide
SMILESCc1cc(Oc2ccc(F)cc2F)ccc1C(N)=S
InChIInChI=1S/C14H11F2NOS/c1-8-6-10(3-4-11(8)14(17)19)18-13-5-2-9(15)7-12(13)16/h2-7H,1H3,(H2,17,19)
InChIKeySHUGHRWLYYFZEB-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.70
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-chloro-4-(2,4-difluorophenoxy)benzenecarbothioamide
CID 62948650
4-(2-fluoro-5-methylphenoxy)-2-methylbenzenecarbothioamide
CID 81277338
4-[2-(hydroxymethyl)phenoxy]-2-methylbenzenecarbothioamide
CID 81277565
4-(3-bromo-5-fluorophenoxy)-2-methylbenzenecarbothioamide
CID 81331604
4-(4-bromo-2-chlorophenoxy)-2-methylbenzenecarbothioamide
CID 81278085
3-fluoro-4-(4-methylphenoxy)benzenecarbothioamide
CID 43658009
3-(2,4-difluorophenoxy)pyridazine-4-carbothioamide
CID 80512567
2,4-difluorobenzenecarbothioamide
CID 2781868
2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide
CID 63675108
2-methyl-4-(2,3,6-trimethylphenoxy)benzenecarbothioamide
CID 81278245
4-(4-ethoxyphenoxy)-2-methylbenzenecarbothioamide
CID 81277177
2-(3,4-dimethylphenoxy)-4-methylbenzenecarbothioamide
CID 62301441

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-2-methylbenzenecarbothioamide?
The IUPAC name of 4-(2,4-difluorophenoxy)-2-methylbenzenecarbothioamide (CID 81277855) is 4-(2,4-difluorophenoxy)-2-methylbenzenecarbothioamide.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-2-methylbenzenecarbothioamide?
The canonical SMILES for 4-(2,4-difluorophenoxy)-2-methylbenzenecarbothioamide is Cc1cc(Oc2ccc(F)cc2F)ccc1C(N)=S.
What is the InChIKey of 4-(2,4-difluorophenoxy)-2-methylbenzenecarbothioamide?
The InChIKey is SHUGHRWLYYFZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NOS/c1-8-6-10(3-4-11(8)14(17)19)18-13-5-2-9(15)7-12(13)16/h2-7H,1H3,(H2,17,19).
What are the key properties of 4-(2,4-difluorophenoxy)-2-methylbenzenecarbothioamide?
4-(2,4-difluorophenoxy)-2-methylbenzenecarbothioamide has a molecular weight of 279.31 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-2-methylbenzenecarbothioamide is sourced from PubChem (CID 81277855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).