2-(2-cyclopropylethoxy)-5-fluorobenzenecarbothioamide

C12H14FNOS — CID 106201683

IUPAC2-(2-cyclopropylethoxy)-5-fluorobenzenecarbothioamide
SMILESNC(=S)c1cc(F)ccc1OCCC1CC1
InChIInChI=1S/C12H14FNOS/c13-9-3-4-11(10(7-9)12(14)16)15-6-5-8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H2,14,16)
InChIKeyWAZYKVURFAVQQJ-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.64
Rot. Bonds5

About 2-(2-cyclopropylethoxy)-5-fluorobenzenecarbothioamide

2-(2-cyclopropylethoxy)-5-fluorobenzenecarbothioamide (PubChem CID 106201683) has the molecular formula C12H14FNOS and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(2-cyclopropylethoxy)-5-fluorobenzenecarbothioamide.

Molecular Properties

Compound Name2-(2-cyclopropylethoxy)-5-fluorobenzenecarbothioamide
PubChem CID106201683
Molecular FormulaC12H14FNOS
Molecular Weight239.31 g/mol
Exact Mass239.08
IUPAC Name2-(2-cyclopropylethoxy)-5-fluorobenzenecarbothioamide
SMILESNC(=S)c1cc(F)ccc1OCCC1CC1
InChIInChI=1S/C12H14FNOS/c13-9-3-4-11(10(7-9)12(14)16)15-6-5-8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H2,14,16)
InChIKeyWAZYKVURFAVQQJ-UHFFFAOYSA-N
XLogP2.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.64
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-fluoro-2-propoxybenzenecarbothioamide
CID 63673082
5-fluoro-2-(oxan-4-ylmethoxy)benzenecarbothioamide
CID 63667463
5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarbothioamide
CID 104561810
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide
CID 104561759
5-fluoro-2-[2-(2-methylpropoxy)ethoxy]benzenecarbothioamide
CID 106447630
[2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine
CID 106199490
3-(2-cyclopropylethoxy)pyridazine-4-carbothioamide
CID 106201688
5-fluoro-2-[2-(methylamino)ethoxy]benzamide
CID 63675006
2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene
CID 114191447
2-(tert-butylamino)-5-fluorobenzenecarbothioamide
CID 63672652
2-(cyclopropylmethoxy)-4-fluorobenzamide
CID 70194943
2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarbothioamide
CID 66323053

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethoxy)-5-fluorobenzenecarbothioamide?
The IUPAC name of 2-(2-cyclopropylethoxy)-5-fluorobenzenecarbothioamide (CID 106201683) is 2-(2-cyclopropylethoxy)-5-fluorobenzenecarbothioamide.
What is the SMILES notation for 2-(2-cyclopropylethoxy)-5-fluorobenzenecarbothioamide?
The canonical SMILES for 2-(2-cyclopropylethoxy)-5-fluorobenzenecarbothioamide is NC(=S)c1cc(F)ccc1OCCC1CC1.
What is the InChIKey of 2-(2-cyclopropylethoxy)-5-fluorobenzenecarbothioamide?
The InChIKey is WAZYKVURFAVQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNOS/c13-9-3-4-11(10(7-9)12(14)16)15-6-5-8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H2,14,16).
What are the key properties of 2-(2-cyclopropylethoxy)-5-fluorobenzenecarbothioamide?
2-(2-cyclopropylethoxy)-5-fluorobenzenecarbothioamide has a molecular weight of 239.31 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethoxy)-5-fluorobenzenecarbothioamide is sourced from PubChem (CID 106201683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).