1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol

C21H19NOS — CID 70682192

IUPAC1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol
SMILESOC(CSc1ccccc1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H19NOS/c23-16(15-24-17-8-2-1-3-9-17)14-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,16,23H,14-15H2
InChIKeyGLOKSJZVWHAENL-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.95
Rot. Bonds5

About 1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol

1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol (PubChem CID 70682192) has the molecular formula C21H19NOS and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol
PubChem CID70682192
Molecular FormulaC21H19NOS
Molecular Weight333.46 g/mol
Exact Mass333.12
IUPAC Name1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol
SMILESOC(CSc1ccccc1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H19NOS/c23-16(15-24-17-8-2-1-3-9-17)14-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,16,23H,14-15H2
InChIKeyGLOKSJZVWHAENL-UHFFFAOYSA-N
XLogP4.95
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-carbazol-9-ylpropan-2-ol
CID 32695207
(2R)-1-carbazol-9-yl-3-quinolin-8-ylsulfanylpropan-2-ol
CID 1305902
1-carbazol-9-yl-3-(oxan-4-ylsulfanyl)propan-2-ol
CID 109471037
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212
(2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol
CID 798463
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium
CID 6577414
[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium
CID 2138697
2-[3-(2,3-dimethylindol-1-yl)-2-hydroxypropyl]sulfanylphenol
CID 70694767
(2R)-1-carbazol-9-yl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 2368013
1-carbazol-9-yl-3-(1-phenylethylamino)propan-2-ol
CID 3635355
1-(3-aminophenyl)sulfanyl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 58065865
1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol
CID 3610728

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol (CID 70682192) is 1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol is OC(CSc1ccccc1)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol?
The InChIKey is GLOKSJZVWHAENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NOS/c23-16(15-24-17-8-2-1-3-9-17)14-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,16,23H,14-15H2.
What are the key properties of 1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol?
1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol has a molecular weight of 333.46 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 70682192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).