3,6,6,12-tetramethyl-[1]benzothiolo[2,3-a]carbazol-5-one

C22H19NOS — CID 138971863

IUPAC3,6,6,12-tetramethyl-[1]benzothiolo[2,3-a]carbazol-5-one
SMILESCc1ccc2c(c1)c1c(n2C)-c2sc3ccccc3c2C(C)(C)C1=O
InChIInChI=1S/C22H19NOS/c1-12-9-10-15-14(11-12)17-19(23(15)4)20-18(22(2,3)21(17)24)13-7-5-6-8-16(13)25-20/h5-11H,1-4H3
InChIKeyALEANRAVKQXZPZ-UHFFFAOYSA-N
MW345.47 g/mol
LogP5.84
Rot. Bonds

About 3,6,6,12-tetramethyl-[1]benzothiolo[2,3-a]carbazol-5-one

3,6,6,12-tetramethyl-[1]benzothiolo[2,3-a]carbazol-5-one (PubChem CID 138971863) has the molecular formula C22H19NOS and a molecular weight of 345.47 g/mol. Its IUPAC name is 3,6,6,12-tetramethyl-[1]benzothiolo[2,3-a]carbazol-5-one.

Molecular Properties

Compound Name3,6,6,12-tetramethyl-[1]benzothiolo[2,3-a]carbazol-5-one
PubChem CID138971863
Molecular FormulaC22H19NOS
Molecular Weight345.47 g/mol
Exact Mass345.12
IUPAC Name3,6,6,12-tetramethyl-[1]benzothiolo[2,3-a]carbazol-5-one
SMILESCc1ccc2c(c1)c1c(n2C)-c2sc3ccccc3c2C(C)(C)C1=O
InChIInChI=1S/C22H19NOS/c1-12-9-10-15-14(11-12)17-19(23(15)4)20-18(22(2,3)21(17)24)13-7-5-6-8-16(13)25-20/h5-11H,1-4H3
InChIKeyALEANRAVKQXZPZ-UHFFFAOYSA-N
XLogP5.84
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.47
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,6,6,12-tetramethyl-[1]benzothiolo[2,3-a]carbazol-5-one?
The IUPAC name of 3,6,6,12-tetramethyl-[1]benzothiolo[2,3-a]carbazol-5-one (CID 138971863) is 3,6,6,12-tetramethyl-[1]benzothiolo[2,3-a]carbazol-5-one.
What is the SMILES notation for 3,6,6,12-tetramethyl-[1]benzothiolo[2,3-a]carbazol-5-one?
The canonical SMILES for 3,6,6,12-tetramethyl-[1]benzothiolo[2,3-a]carbazol-5-one is Cc1ccc2c(c1)c1c(n2C)-c2sc3ccccc3c2C(C)(C)C1=O.
What is the InChIKey of 3,6,6,12-tetramethyl-[1]benzothiolo[2,3-a]carbazol-5-one?
The InChIKey is ALEANRAVKQXZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NOS/c1-12-9-10-15-14(11-12)17-19(23(15)4)20-18(22(2,3)21(17)24)13-7-5-6-8-16(13)25-20/h5-11H,1-4H3.
What are the key properties of 3,6,6,12-tetramethyl-[1]benzothiolo[2,3-a]carbazol-5-one?
3,6,6,12-tetramethyl-[1]benzothiolo[2,3-a]carbazol-5-one has a molecular weight of 345.47 g/mol, XLogP of 5.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6,12-tetramethyl-[1]benzothiolo[2,3-a]carbazol-5-one is sourced from PubChem (CID 138971863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).