amino-(4-ethylsulfanylphenyl)methanol

C9H13NOS — CID 116939661

IUPACamino-(4-ethylsulfanylphenyl)methanol
SMILESCCSc1ccc(C(N)O)cc1
InChIInChI=1S/C9H13NOS/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,9,11H,2,10H2,1H3
InChIKeyQYZFUDIUIXLKNX-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.75
Rot. Bonds3

About amino-(4-ethylsulfanylphenyl)methanol

amino-(4-ethylsulfanylphenyl)methanol (PubChem CID 116939661) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is amino-(4-ethylsulfanylphenyl)methanol.

Molecular Properties

Compound Nameamino-(4-ethylsulfanylphenyl)methanol
PubChem CID116939661
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Nameamino-(4-ethylsulfanylphenyl)methanol
SMILESCCSc1ccc(C(N)O)cc1
InChIInChI=1S/C9H13NOS/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,9,11H,2,10H2,1H3
InChIKeyQYZFUDIUIXLKNX-UHFFFAOYSA-N
XLogP1.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4-ethylsulfanylphenyl)methanediamine
CID 116939199
2-amino-2-(4-ethylsulfanylphenyl)ethanol
CID 77129802
2,3-diamino-3-(4-ethylsulfanylphenyl)propan-1-ol
CID 116942412
1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine
CID 116909120
(1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine
CID 171235699
(S)-(4-ethylsulfanylphenyl)-(4-fluorophenyl)methanol
CID 7154353
2-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol
CID 83935836
1-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine
CID 116933128
2-[amino-(4-ethylsulfanylphenyl)methyl]butanoic acid
CID 116945100
1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine
CID 116831553
1-[amino-(4-ethylsulfanylphenyl)methyl]cyclopropan-1-amine
CID 116947074
1-(4-ethylsulfanylphenyl)-1-(methylamino)propan-2-ol
CID 116859470

Frequently Asked Questions

What is the IUPAC name of amino-(4-ethylsulfanylphenyl)methanol?
The IUPAC name of amino-(4-ethylsulfanylphenyl)methanol (CID 116939661) is amino-(4-ethylsulfanylphenyl)methanol.
What is the SMILES notation for amino-(4-ethylsulfanylphenyl)methanol?
The canonical SMILES for amino-(4-ethylsulfanylphenyl)methanol is CCSc1ccc(C(N)O)cc1.
What is the InChIKey of amino-(4-ethylsulfanylphenyl)methanol?
The InChIKey is QYZFUDIUIXLKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,9,11H,2,10H2,1H3.
What are the key properties of amino-(4-ethylsulfanylphenyl)methanol?
amino-(4-ethylsulfanylphenyl)methanol has a molecular weight of 183.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(4-ethylsulfanylphenyl)methanol is sourced from PubChem (CID 116939661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).