2H-benzo[g]thiochromen-2-ol

C13H10OS — CID 141392885

IUPAC2H-benzo[g]thiochromen-2-ol
SMILESOC1C=Cc2cc3ccccc3cc2S1
InChIInChI=1S/C13H10OS/c14-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)15-13/h1-8,13-14H
InChIKeyZQCYWUUALBUCKG-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.28
Rot. Bonds

About 2H-benzo[g]thiochromen-2-ol

2H-benzo[g]thiochromen-2-ol (PubChem CID 141392885) has the molecular formula C13H10OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 2H-benzo[g]thiochromen-2-ol.

Molecular Properties

Compound Name2H-benzo[g]thiochromen-2-ol
PubChem CID141392885
Molecular FormulaC13H10OS
Molecular Weight214.29 g/mol
Exact Mass214.05
IUPAC Name2H-benzo[g]thiochromen-2-ol
SMILESOC1C=Cc2cc3ccccc3cc2S1
InChIInChI=1S/C13H10OS/c14-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)15-13/h1-8,13-14H
InChIKeyZQCYWUUALBUCKG-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2H-benzo[g]thiochromen-2-ol with MolForge

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Related Compounds

(1aS,9bR)-1a,9b-dihydroanthra[1,2-b]oxirene
CID 135059450
CID 158474185
CID 158474185
benzo[b]thianthrene
CID 19906774
(10S,11S)-10,11-dihydrobenzo[a]anthracene-10,11-diol
CID 23621324
14-(11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaen-14-ylidene)-11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaene
CID 58084171
anthra[1,2-b]thiirene-1a,9b-diol
CID 175056377
2-bromo-2H-benzo[a]anthracen-1-one
CID 141196101
2-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2H-anthracen-1-one
CID 156769470
2-phenyl-2H-benzo[g]thiochromene 1-oxide
CID 178076131
2-imino-1H-anthracen-1-ol
CID 155895652
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
lithium anthracene
CID 22662646

Frequently Asked Questions

What is the IUPAC name of 2H-benzo[g]thiochromen-2-ol?
The IUPAC name of 2H-benzo[g]thiochromen-2-ol (CID 141392885) is 2H-benzo[g]thiochromen-2-ol.
What is the SMILES notation for 2H-benzo[g]thiochromen-2-ol?
The canonical SMILES for 2H-benzo[g]thiochromen-2-ol is OC1C=Cc2cc3ccccc3cc2S1.
What is the InChIKey of 2H-benzo[g]thiochromen-2-ol?
The InChIKey is ZQCYWUUALBUCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10OS/c14-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)15-13/h1-8,13-14H.
What are the key properties of 2H-benzo[g]thiochromen-2-ol?
2H-benzo[g]thiochromen-2-ol has a molecular weight of 214.29 g/mol, XLogP of 3.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzo[g]thiochromen-2-ol is sourced from PubChem (CID 141392885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).