8aH-thiochromene

C9H8S — CID 57195514

IUPAC8aH-thiochromene
SMILESC1=CSC2C=CC=CC2=C1
InChIInChI=1S/C9H8S/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7,9H
InChIKeyJTEBTEDTBSNFLE-UHFFFAOYSA-N
MW148.23 g/mol
LogP2.67
Rot. Bonds

About 8aH-thiochromene

8aH-thiochromene (PubChem CID 57195514) has the molecular formula C9H8S and a molecular weight of 148.23 g/mol. Its IUPAC name is 8aH-thiochromene.

Molecular Properties

Compound Name8aH-thiochromene
PubChem CID57195514
Molecular FormulaC9H8S
Molecular Weight148.23 g/mol
Exact Mass148.03
IUPAC Name8aH-thiochromene
SMILESC1=CSC2C=CC=CC2=C1
InChIInChI=1S/C9H8S/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7,9H
InChIKeyJTEBTEDTBSNFLE-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8aH-thiochromene?
The IUPAC name of 8aH-thiochromene (CID 57195514) is 8aH-thiochromene.
What is the SMILES notation for 8aH-thiochromene?
The canonical SMILES for 8aH-thiochromene is C1=CSC2C=CC=CC2=C1.
What is the InChIKey of 8aH-thiochromene?
The InChIKey is JTEBTEDTBSNFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8S/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7,9H.
What are the key properties of 8aH-thiochromene?
8aH-thiochromene has a molecular weight of 148.23 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8aH-thiochromene is sourced from PubChem (CID 57195514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).