4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide

C11H12FNOS — CID 43658073

IUPAC4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide
SMILESNC(=S)c1ccc(OCC2CC2)c(F)c1
InChIInChI=1S/C11H12FNOS/c12-9-5-8(11(13)15)3-4-10(9)14-6-7-1-2-7/h3-5,7H,1-2,6H2,(H2,13,15)
InChIKeyOLUMQXMQSLATQZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.25
Rot. Bonds4

About 4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide

4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide (PubChem CID 43658073) has the molecular formula C11H12FNOS and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide
PubChem CID43658073
Molecular FormulaC11H12FNOS
Molecular Weight225.29 g/mol
Exact Mass225.06
IUPAC Name4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide
SMILESNC(=S)c1ccc(OCC2CC2)c(F)c1
InChIInChI=1S/C11H12FNOS/c12-9-5-8(11(13)15)3-4-10(9)14-6-7-1-2-7/h3-5,7H,1-2,6H2,(H2,13,15)
InChIKeyOLUMQXMQSLATQZ-UHFFFAOYSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.25
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-(cyclopentylmethoxy)-3-fluorobenzenecarbothioamide
CID 66322191
4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77124857
4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide
CID 62383562
4-cyclobutyloxy-3-fluorobenzenecarbothioamide
CID 62142563
4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorobenzenecarbothioamide
CID 107665832
methyl 2-(4-carbamothioyl-2-fluorophenoxy)acetate
CID 107665927
4-[2-(dimethylamino)ethoxy]-3-fluorobenzenecarbothioamide
CID 61102663
4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarbothioamide
CID 66321774
3-fluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarbothioamide
CID 43658096
3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide
CID 104561789
3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarbothioamide
CID 107912273
3-fluoro-4-[(2,4,6-trimethylphenyl)methoxy]benzenecarbothioamide
CID 107665785

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide?
The IUPAC name of 4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide (CID 43658073) is 4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide is NC(=S)c1ccc(OCC2CC2)c(F)c1.
What is the InChIKey of 4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide?
The InChIKey is OLUMQXMQSLATQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNOS/c12-9-5-8(11(13)15)3-4-10(9)14-6-7-1-2-7/h3-5,7H,1-2,6H2,(H2,13,15).
What are the key properties of 4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide?
4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide has a molecular weight of 225.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide is sourced from PubChem (CID 43658073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).