1-(2-anilinophenyl)-3-sulfanylpropane-1,2-diol

C15H17NO2S — CID 170820856

IUPAC1-(2-anilinophenyl)-3-sulfanylpropane-1,2-diol
SMILESOC(CS)C(O)c1ccccc1Nc1ccccc1
InChIInChI=1S/C15H17NO2S/c17-14(10-19)15(18)12-8-4-5-9-13(12)16-11-6-2-1-3-7-11/h1-9,14-19H,10H2
InChIKeyDHRNIHLPYDEGEA-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.75
Rot. Bonds5

About 1-(2-anilinophenyl)-3-sulfanylpropane-1,2-diol

1-(2-anilinophenyl)-3-sulfanylpropane-1,2-diol (PubChem CID 170820856) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(2-anilinophenyl)-3-sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name1-(2-anilinophenyl)-3-sulfanylpropane-1,2-diol
PubChem CID170820856
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name1-(2-anilinophenyl)-3-sulfanylpropane-1,2-diol
SMILESOC(CS)C(O)c1ccccc1Nc1ccccc1
InChIInChI=1S/C15H17NO2S/c17-14(10-19)15(18)12-8-4-5-9-13(12)16-11-6-2-1-3-7-11/h1-9,14-19H,10H2
InChIKeyDHRNIHLPYDEGEA-UHFFFAOYSA-N
XLogP2.75
TPSA52.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(aminomethyl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170819603
1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine
CID 141333643
2,4-bis(2-anilinophenyl)pentan-3-one
CID 150203420
N-phenyl-2-(1-phenylethyl)aniline
CID 59839557
2-[2-(1,2-dihydroxy-3-sulfanylpropyl)phenoxy]acetic acid
CID 170820478
2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine
CID 144714083
1-(3-hydroxy-2-methylphenyl)-3-sulfanylpropane-1,2-diol
CID 170819508
ethane;2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine
CID 144714082
1-(4-phenylphenyl)-3-sulfanylpropane-1,2-diol
CID 170820677
1-[2,6-di(propan-2-yl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170820724
2-amino-6-(1,2-dihydroxy-3-sulfanylpropyl)benzoic acid
CID 170820348
1-(1-hydroxynaphthalen-2-yl)-3-sulfanylpropane-1,2-diol
CID 170820617

Frequently Asked Questions

What is the IUPAC name of 1-(2-anilinophenyl)-3-sulfanylpropane-1,2-diol?
The IUPAC name of 1-(2-anilinophenyl)-3-sulfanylpropane-1,2-diol (CID 170820856) is 1-(2-anilinophenyl)-3-sulfanylpropane-1,2-diol.
What is the SMILES notation for 1-(2-anilinophenyl)-3-sulfanylpropane-1,2-diol?
The canonical SMILES for 1-(2-anilinophenyl)-3-sulfanylpropane-1,2-diol is OC(CS)C(O)c1ccccc1Nc1ccccc1.
What is the InChIKey of 1-(2-anilinophenyl)-3-sulfanylpropane-1,2-diol?
The InChIKey is DHRNIHLPYDEGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c17-14(10-19)15(18)12-8-4-5-9-13(12)16-11-6-2-1-3-7-11/h1-9,14-19H,10H2.
What are the key properties of 1-(2-anilinophenyl)-3-sulfanylpropane-1,2-diol?
1-(2-anilinophenyl)-3-sulfanylpropane-1,2-diol has a molecular weight of 275.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilinophenyl)-3-sulfanylpropane-1,2-diol is sourced from PubChem (CID 170820856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).