2-(1-phenylethoxy)benzenecarbothioamide

C15H15NOS — CID 43200089

IUPAC2-(1-phenylethoxy)benzenecarbothioamide
SMILESCC(Oc1ccccc1C(N)=S)c1ccccc1
InChIInChI=1S/C15H15NOS/c1-11(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)15(16)18/h2-11H,1H3,(H2,16,18)
InChIKeyYOGDRLRFPKBGAC-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.46
Rot. Bonds4

About 2-(1-phenylethoxy)benzenecarbothioamide

2-(1-phenylethoxy)benzenecarbothioamide (PubChem CID 43200089) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-(1-phenylethoxy)benzenecarbothioamide.

Molecular Properties

Compound Name2-(1-phenylethoxy)benzenecarbothioamide
PubChem CID43200089
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name2-(1-phenylethoxy)benzenecarbothioamide
SMILESCC(Oc1ccccc1C(N)=S)c1ccccc1
InChIInChI=1S/C15H15NOS/c1-11(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)15(16)18/h2-11H,1H3,(H2,16,18)
InChIKeyYOGDRLRFPKBGAC-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.46
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-hydroxy-2-phenyl-1-[2-(1-phenylethoxy)phenyl]ethanone
CID 175347432
3-(1-phenylethoxy)pyrazine-2-carbothioamide
CID 62683961
5-bromo-N'-hydroxy-2-(1-phenylethoxy)benzenecarboximidamide
CID 114892713
2-trimethylsilyloxybenzenecarbothioamide
CID 167731480
2-[(2-methylpropan-2-yl)oxy]benzenecarbothioamide
CID 29002040
5-chloro-2-(1-phenylethoxy)benzenecarboximidamide
CID 62494768
2-[2-(1-phenylethoxy)phenyl]ethanol
CID 107713134
2-(2-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide
CID 43116911
methyl 5-amino-2-(1-phenylethoxy)benzoate
CID 61306335
2-bromo-N'-hydroxy-6-(1-phenylethoxy)benzenecarboximidamide
CID 114883423
5-(1-phenylethyl)-2-[1-[4-(1-phenylethyl)phenyl]ethoxy]benzoic acid
CID 151769590
2-amino-2-phenyl-1-(2-propan-2-yloxyphenyl)ethanone
CID 116551128

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethoxy)benzenecarbothioamide?
The IUPAC name of 2-(1-phenylethoxy)benzenecarbothioamide (CID 43200089) is 2-(1-phenylethoxy)benzenecarbothioamide.
What is the SMILES notation for 2-(1-phenylethoxy)benzenecarbothioamide?
The canonical SMILES for 2-(1-phenylethoxy)benzenecarbothioamide is CC(Oc1ccccc1C(N)=S)c1ccccc1.
What is the InChIKey of 2-(1-phenylethoxy)benzenecarbothioamide?
The InChIKey is YOGDRLRFPKBGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-11(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)15(16)18/h2-11H,1H3,(H2,16,18).
What are the key properties of 2-(1-phenylethoxy)benzenecarbothioamide?
2-(1-phenylethoxy)benzenecarbothioamide has a molecular weight of 257.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethoxy)benzenecarbothioamide is sourced from PubChem (CID 43200089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).