4aH-benzo[c]thiochromene

C13H10S — CID 18539628

IUPAC4aH-benzo[c]thiochromene
SMILESC1=CC2=c3ccccc3=CSC2C=C1
InChIInChI=1S/C13H10S/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9,13H
InChIKeyNSIIZBVYPGGLQI-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.82
Rot. Bonds

About 4aH-benzo[c]thiochromene

4aH-benzo[c]thiochromene (PubChem CID 18539628) has the molecular formula C13H10S and a molecular weight of 198.29 g/mol. Its IUPAC name is 4aH-benzo[c]thiochromene.

Molecular Properties

Compound Name4aH-benzo[c]thiochromene
PubChem CID18539628
Molecular FormulaC13H10S
Molecular Weight198.29 g/mol
Exact Mass198.05
IUPAC Name4aH-benzo[c]thiochromene
SMILESC1=CC2=c3ccccc3=CSC2C=C1
InChIInChI=1S/C13H10S/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9,13H
InChIKeyNSIIZBVYPGGLQI-UHFFFAOYSA-N
XLogP1.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4aH-benzo[c]thiochromene?
The IUPAC name of 4aH-benzo[c]thiochromene (CID 18539628) is 4aH-benzo[c]thiochromene.
What is the SMILES notation for 4aH-benzo[c]thiochromene?
The canonical SMILES for 4aH-benzo[c]thiochromene is C1=CC2=c3ccccc3=CSC2C=C1.
What is the InChIKey of 4aH-benzo[c]thiochromene?
The InChIKey is NSIIZBVYPGGLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10S/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9,13H.
What are the key properties of 4aH-benzo[c]thiochromene?
4aH-benzo[c]thiochromene has a molecular weight of 198.29 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4aH-benzo[c]thiochromene is sourced from PubChem (CID 18539628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).