1-(5-amino-2-chlorophenyl)sulfanyl-3-ethoxypropan-2-ol

C11H16ClNO2S — CID 79133194

IUPAC1-(5-amino-2-chlorophenyl)sulfanyl-3-ethoxypropan-2-ol
SMILESCCOCC(O)CSc1cc(N)ccc1Cl
InChIInChI=1S/C11H16ClNO2S/c1-2-15-6-9(14)7-16-11-5-8(13)3-4-10(11)12/h3-5,9,14H,2,6-7,13H2,1H3
InChIKeyPEAHTVCJMXYOJA-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.41
Rot. Bonds6

About 1-(5-amino-2-chlorophenyl)sulfanyl-3-ethoxypropan-2-ol

1-(5-amino-2-chlorophenyl)sulfanyl-3-ethoxypropan-2-ol (PubChem CID 79133194) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 1-(5-amino-2-chlorophenyl)sulfanyl-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-(5-amino-2-chlorophenyl)sulfanyl-3-ethoxypropan-2-ol
PubChem CID79133194
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name1-(5-amino-2-chlorophenyl)sulfanyl-3-ethoxypropan-2-ol
SMILESCCOCC(O)CSc1cc(N)ccc1Cl
InChIInChI=1S/C11H16ClNO2S/c1-2-15-6-9(14)7-16-11-5-8(13)3-4-10(11)12/h3-5,9,14H,2,6-7,13H2,1H3
InChIKeyPEAHTVCJMXYOJA-UHFFFAOYSA-N
XLogP2.41
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-chlorophenyl)sulfanyl-3-ethoxypropan-2-ol?
The IUPAC name of 1-(5-amino-2-chlorophenyl)sulfanyl-3-ethoxypropan-2-ol (CID 79133194) is 1-(5-amino-2-chlorophenyl)sulfanyl-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-(5-amino-2-chlorophenyl)sulfanyl-3-ethoxypropan-2-ol?
The canonical SMILES for 1-(5-amino-2-chlorophenyl)sulfanyl-3-ethoxypropan-2-ol is CCOCC(O)CSc1cc(N)ccc1Cl.
What is the InChIKey of 1-(5-amino-2-chlorophenyl)sulfanyl-3-ethoxypropan-2-ol?
The InChIKey is PEAHTVCJMXYOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-2-15-6-9(14)7-16-11-5-8(13)3-4-10(11)12/h3-5,9,14H,2,6-7,13H2,1H3.
What are the key properties of 1-(5-amino-2-chlorophenyl)sulfanyl-3-ethoxypropan-2-ol?
1-(5-amino-2-chlorophenyl)sulfanyl-3-ethoxypropan-2-ol has a molecular weight of 261.77 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-chlorophenyl)sulfanyl-3-ethoxypropan-2-ol is sourced from PubChem (CID 79133194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).