1-tert-butylsulfanyl-3-carbazol-9-ylpropan-2-ol

C19H23NOS — CID 2867497

IUPAC1-tert-butylsulfanyl-3-carbazol-9-ylpropan-2-ol
SMILESCC(C)(C)SCC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C19H23NOS/c1-19(2,3)22-13-14(21)12-20-17-10-6-4-8-15(17)16-9-5-7-11-18(16)20/h4-11,14,21H,12-13H2,1-3H3
InChIKeyVWXNQAISSPYIOV-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.69
Rot. Bonds4

About 1-tert-butylsulfanyl-3-carbazol-9-ylpropan-2-ol

1-tert-butylsulfanyl-3-carbazol-9-ylpropan-2-ol (PubChem CID 2867497) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-3-carbazol-9-ylpropan-2-ol.

Molecular Properties

Compound Name1-tert-butylsulfanyl-3-carbazol-9-ylpropan-2-ol
PubChem CID2867497
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name1-tert-butylsulfanyl-3-carbazol-9-ylpropan-2-ol
SMILESCC(C)(C)SCC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C19H23NOS/c1-19(2,3)22-13-14(21)12-20-17-10-6-4-8-15(17)16-9-5-7-11-18(16)20/h4-11,14,21H,12-13H2,1-3H3
InChIKeyVWXNQAISSPYIOV-UHFFFAOYSA-N
XLogP4.69
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-3-carbazol-9-ylpropan-2-ol?
The IUPAC name of 1-tert-butylsulfanyl-3-carbazol-9-ylpropan-2-ol (CID 2867497) is 1-tert-butylsulfanyl-3-carbazol-9-ylpropan-2-ol.
What is the SMILES notation for 1-tert-butylsulfanyl-3-carbazol-9-ylpropan-2-ol?
The canonical SMILES for 1-tert-butylsulfanyl-3-carbazol-9-ylpropan-2-ol is CC(C)(C)SCC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-tert-butylsulfanyl-3-carbazol-9-ylpropan-2-ol?
The InChIKey is VWXNQAISSPYIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-19(2,3)22-13-14(21)12-20-17-10-6-4-8-15(17)16-9-5-7-11-18(16)20/h4-11,14,21H,12-13H2,1-3H3.
What are the key properties of 1-tert-butylsulfanyl-3-carbazol-9-ylpropan-2-ol?
1-tert-butylsulfanyl-3-carbazol-9-ylpropan-2-ol has a molecular weight of 313.47 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-3-carbazol-9-ylpropan-2-ol is sourced from PubChem (CID 2867497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).