1-[4-[amino-(methylidene-λ4-sulfanylidene)methyl]phenyl]ethanone

C10H11NOS — CID 166872049

IUPAC1-[4-[amino-(methylidene-λ4-sulfanylidene)methyl]phenyl]ethanone
SMILESC=S=C(N)c1ccc(C(C)=O)cc1
InChIInChI=1S/C10H11NOS/c1-7(12)8-3-5-9(6-4-8)10(11)13-2/h3-6H,2,11H2,1H3
InChIKeyRAOLFHVZFIRPNF-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.49
Rot. Bonds2

About 1-[4-[amino-(methylidene-λ4-sulfanylidene)methyl]phenyl]ethanone

1-[4-[amino-(methylidene-λ4-sulfanylidene)methyl]phenyl]ethanone (PubChem CID 166872049) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-[4-[amino-(methylidene-λ4-sulfanylidene)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[amino-(methylidene-λ4-sulfanylidene)methyl]phenyl]ethanone
PubChem CID166872049
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name1-[4-[amino-(methylidene-λ4-sulfanylidene)methyl]phenyl]ethanone
SMILESC=S=C(N)c1ccc(C(C)=O)cc1
InChIInChI=1S/C10H11NOS/c1-7(12)8-3-5-9(6-4-8)10(11)13-2/h3-6H,2,11H2,1H3
InChIKeyRAOLFHVZFIRPNF-UHFFFAOYSA-N
XLogP1.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminosulfanylphenyl)ethanone
CID 129026728
1-(4-aminosulfanylphenyl)ethanone;ethane
CID 142198565
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone
CID 520243
1-[4-(1-hydroxyethenyl)phenyl]ethanone;propane
CID 143877999
4-acetyl(11C)benzoic acid
CID 11205952
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
1-(4-hydroxyphenyl)ethanone;phosphane
CID 145192657
1-(4-arsanylphenyl)ethanone
CID 173138956
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
1-[4-[2-(4-aminophenyl)ethynyl]phenyl]ethanone
CID 11470363
(4-acetylphenyl) carbamate;ethane
CID 163253714

Frequently Asked Questions

What is the IUPAC name of 1-[4-[amino-(methylidene-λ4-sulfanylidene)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[amino-(methylidene-λ4-sulfanylidene)methyl]phenyl]ethanone (CID 166872049) is 1-[4-[amino-(methylidene-λ4-sulfanylidene)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[amino-(methylidene-λ4-sulfanylidene)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[amino-(methylidene-λ4-sulfanylidene)methyl]phenyl]ethanone is C=S=C(N)c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-[amino-(methylidene-λ4-sulfanylidene)methyl]phenyl]ethanone?
The InChIKey is RAOLFHVZFIRPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-7(12)8-3-5-9(6-4-8)10(11)13-2/h3-6H,2,11H2,1H3.
What are the key properties of 1-[4-[amino-(methylidene-λ4-sulfanylidene)methyl]phenyl]ethanone?
1-[4-[amino-(methylidene-λ4-sulfanylidene)methyl]phenyl]ethanone has a molecular weight of 193.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[amino-(methylidene-λ4-sulfanylidene)methyl]phenyl]ethanone is sourced from PubChem (CID 166872049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).