3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)prop-2-ene-1-thiol

C15H17NS — CID 169456122

IUPAC3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)prop-2-ene-1-thiol
SMILESSCC=Cc1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C15H17NS/c17-9-3-4-11-7-8-15-13(10-11)12-5-1-2-6-14(12)16-15/h3-4,7-8,10,16-17H,1-2,5-6,9H2
InChIKeyYBFGAQZTTUGMCV-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.99
Rot. Bonds2

About 3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)prop-2-ene-1-thiol

3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)prop-2-ene-1-thiol (PubChem CID 169456122) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)prop-2-ene-1-thiol.

Molecular Properties

Compound Name3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)prop-2-ene-1-thiol
PubChem CID169456122
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)prop-2-ene-1-thiol
SMILESSCC=Cc1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C15H17NS/c17-9-3-4-11-7-8-15-13(10-11)12-5-1-2-6-14(12)16-15/h3-4,7-8,10,16-17H,1-2,5-6,9H2
InChIKeyYBFGAQZTTUGMCV-UHFFFAOYSA-N
XLogP3.99
TPSA15.79 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)prop-2-ene-1-thiol?
The IUPAC name of 3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)prop-2-ene-1-thiol (CID 169456122) is 3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)prop-2-ene-1-thiol.
What is the SMILES notation for 3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)prop-2-ene-1-thiol?
The canonical SMILES for 3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)prop-2-ene-1-thiol is SCC=Cc1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of 3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)prop-2-ene-1-thiol?
The InChIKey is YBFGAQZTTUGMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c17-9-3-4-11-7-8-15-13(10-11)12-5-1-2-6-14(12)16-15/h3-4,7-8,10,16-17H,1-2,5-6,9H2.
What are the key properties of 3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)prop-2-ene-1-thiol?
3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)prop-2-ene-1-thiol has a molecular weight of 243.38 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)prop-2-ene-1-thiol is sourced from PubChem (CID 169456122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).