2H-benzo[g]thiochromene

C13H10S — CID 22983285

IUPAC2H-benzo[g]thiochromene
SMILESC1=Cc2cc3ccccc3cc2SC1
InChIInChI=1S/C13H10S/c1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1/h1-6,8-9H,7H2
InChIKeyAESPYQQDASDLHC-UHFFFAOYSA-N
MW198.29 g/mol
LogP3.96
Rot. Bonds

About 2H-benzo[g]thiochromene

2H-benzo[g]thiochromene (PubChem CID 22983285) has the molecular formula C13H10S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2H-benzo[g]thiochromene.

Molecular Properties

Compound Name2H-benzo[g]thiochromene
PubChem CID22983285
Molecular FormulaC13H10S
Molecular Weight198.29 g/mol
Exact Mass198.05
IUPAC Name2H-benzo[g]thiochromene
SMILESC1=Cc2cc3ccccc3cc2SC1
InChIInChI=1S/C13H10S/c1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1/h1-6,8-9H,7H2
InChIKeyAESPYQQDASDLHC-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2H-benzo[g]thiochromene?
The IUPAC name of 2H-benzo[g]thiochromene (CID 22983285) is 2H-benzo[g]thiochromene.
What is the SMILES notation for 2H-benzo[g]thiochromene?
The canonical SMILES for 2H-benzo[g]thiochromene is C1=Cc2cc3ccccc3cc2SC1.
What is the InChIKey of 2H-benzo[g]thiochromene?
The InChIKey is AESPYQQDASDLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10S/c1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1/h1-6,8-9H,7H2.
What are the key properties of 2H-benzo[g]thiochromene?
2H-benzo[g]thiochromene has a molecular weight of 198.29 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzo[g]thiochromene is sourced from PubChem (CID 22983285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).