6-ethylsulfanyl-9-methyl-1,2,3,4-tetrahydrocarbazole

C15H19NS — CID 11776645

IUPAC6-ethylsulfanyl-9-methyl-1,2,3,4-tetrahydrocarbazole
SMILESCCSc1ccc2c(c1)c1c(n2C)CCCC1
InChIInChI=1S/C15H19NS/c1-3-17-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15)2/h8-10H,3-7H2,1-2H3
InChIKeyWKODHJKBOVYZSE-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.17
Rot. Bonds2

About 6-ethylsulfanyl-9-methyl-1,2,3,4-tetrahydrocarbazole

6-ethylsulfanyl-9-methyl-1,2,3,4-tetrahydrocarbazole (PubChem CID 11776645) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 6-ethylsulfanyl-9-methyl-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name6-ethylsulfanyl-9-methyl-1,2,3,4-tetrahydrocarbazole
PubChem CID11776645
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name6-ethylsulfanyl-9-methyl-1,2,3,4-tetrahydrocarbazole
SMILESCCSc1ccc2c(c1)c1c(n2C)CCCC1
InChIInChI=1S/C15H19NS/c1-3-17-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15)2/h8-10H,3-7H2,1-2H3
InChIKeyWKODHJKBOVYZSE-UHFFFAOYSA-N
XLogP4.17
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-9-methyl-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 6-ethylsulfanyl-9-methyl-1,2,3,4-tetrahydrocarbazole (CID 11776645) is 6-ethylsulfanyl-9-methyl-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 6-ethylsulfanyl-9-methyl-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 6-ethylsulfanyl-9-methyl-1,2,3,4-tetrahydrocarbazole is CCSc1ccc2c(c1)c1c(n2C)CCCC1.
What is the InChIKey of 6-ethylsulfanyl-9-methyl-1,2,3,4-tetrahydrocarbazole?
The InChIKey is WKODHJKBOVYZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-3-17-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15)2/h8-10H,3-7H2,1-2H3.
What are the key properties of 6-ethylsulfanyl-9-methyl-1,2,3,4-tetrahydrocarbazole?
6-ethylsulfanyl-9-methyl-1,2,3,4-tetrahydrocarbazole has a molecular weight of 245.39 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-9-methyl-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 11776645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).