2-phenyl-2H-benzo[g]thiochromene 1-oxide

C19H14OS — CID 178076131

IUPAC2-phenyl-2H-benzo[g]thiochromene 1-oxide
SMILESO=S1c2cc3ccccc3cc2C=CC1c1ccccc1
InChIInChI=1S/C19H14OS/c20-21-18(14-6-2-1-3-7-14)11-10-17-12-15-8-4-5-9-16(15)13-19(17)21/h1-13,18H
InChIKeyDMQMXOVHGGIKQQ-UHFFFAOYSA-N
MW290.39 g/mol
LogP4.72
Rot. Bonds1

About 2-phenyl-2H-benzo[g]thiochromene 1-oxide

2-phenyl-2H-benzo[g]thiochromene 1-oxide (PubChem CID 178076131) has the molecular formula C19H14OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-phenyl-2H-benzo[g]thiochromene 1-oxide.

Molecular Properties

Compound Name2-phenyl-2H-benzo[g]thiochromene 1-oxide
PubChem CID178076131
Molecular FormulaC19H14OS
Molecular Weight290.39 g/mol
Exact Mass290.08
IUPAC Name2-phenyl-2H-benzo[g]thiochromene 1-oxide
SMILESO=S1c2cc3ccccc3cc2C=CC1c1ccccc1
InChIInChI=1S/C19H14OS/c20-21-18(14-6-2-1-3-7-14)11-10-17-12-15-8-4-5-9-16(15)13-19(17)21/h1-13,18H
InChIKeyDMQMXOVHGGIKQQ-UHFFFAOYSA-N
XLogP4.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-oxo-2H-benzo[g]thiochromen-2-ol
CID 141069567
2,3-di(propan-2-yl)-2H-benzo[g]thiochromene 1-oxide
CID 141094875
3-methyl-1-oxo-N-propan-2-yl-2H-benzo[g]thiochromen-2-amine
CID 141442347
2-ethenyl-7,8-dimethyl-2H-benzo[g]thiochromene 1-oxide
CID 169090020
N-[2-[[4-(chloromethyl)phenyl]methyl]octyl]-1-oxo-2H-benzo[g]thiochromen-2-amine
CID 141442348
lithium anthracene
CID 22662646
anthracene;cyclohexa-2,5-diene-1,4-dione
CID 118268436
lithium 2-phenyl-2H-quinolin-1-ide
CID 176883857
(1aS,9bR)-1a,9b-dihydroanthra[1,2-b]oxirene
CID 135059450
2,4-dichloro-2H-benzo[g]thiochromene 1-oxide
CID 141060514
2H-benzo[g]thiochromen-2-ol
CID 141392885
anthracene;benzene;naphthalene
CID 142706236

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2H-benzo[g]thiochromene 1-oxide?
The IUPAC name of 2-phenyl-2H-benzo[g]thiochromene 1-oxide (CID 178076131) is 2-phenyl-2H-benzo[g]thiochromene 1-oxide.
What is the SMILES notation for 2-phenyl-2H-benzo[g]thiochromene 1-oxide?
The canonical SMILES for 2-phenyl-2H-benzo[g]thiochromene 1-oxide is O=S1c2cc3ccccc3cc2C=CC1c1ccccc1.
What is the InChIKey of 2-phenyl-2H-benzo[g]thiochromene 1-oxide?
The InChIKey is DMQMXOVHGGIKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14OS/c20-21-18(14-6-2-1-3-7-14)11-10-17-12-15-8-4-5-9-16(15)13-19(17)21/h1-13,18H.
What are the key properties of 2-phenyl-2H-benzo[g]thiochromene 1-oxide?
2-phenyl-2H-benzo[g]thiochromene 1-oxide has a molecular weight of 290.39 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2H-benzo[g]thiochromene 1-oxide is sourced from PubChem (CID 178076131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).