3,3a,4,9b-tetrahydro-1H-thiochromeno[4,3-c][1,2]oxazole

C10H11NOS — CID 70343292

IUPAC3,3a,4,9b-tetrahydro-1H-thiochromeno[4,3-c][1,2]oxazole
SMILESc1ccc2c(c1)SCC1CONC21
InChIInChI=1S/C10H11NOS/c1-2-4-9-8(3-1)10-7(6-13-9)5-12-11-10/h1-4,7,10-11H,5-6H2
InChIKeyBORJSLSXJOPBHT-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.98
Rot. Bonds

About 3,3a,4,9b-tetrahydro-1H-thiochromeno[4,3-c][1,2]oxazole

3,3a,4,9b-tetrahydro-1H-thiochromeno[4,3-c][1,2]oxazole (PubChem CID 70343292) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 3,3a,4,9b-tetrahydro-1H-thiochromeno[4,3-c][1,2]oxazole.

Molecular Properties

Compound Name3,3a,4,9b-tetrahydro-1H-thiochromeno[4,3-c][1,2]oxazole
PubChem CID70343292
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name3,3a,4,9b-tetrahydro-1H-thiochromeno[4,3-c][1,2]oxazole
SMILESc1ccc2c(c1)SCC1CONC21
InChIInChI=1S/C10H11NOS/c1-2-4-9-8(3-1)10-7(6-13-9)5-12-11-10/h1-4,7,10-11H,5-6H2
InChIKeyBORJSLSXJOPBHT-UHFFFAOYSA-N
XLogP1.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6aR,10aS,11S)-6,6a,7,8,9,10,10a,11-octahydrobenzo[c][1]benzothiepin-11-ol
CID 15689057
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CID 158511904
3-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine
CID 178102394
N,N-dimethyl-2,3-dihydro-1-benzothiophen-3-amine
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[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
CID 124511720
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
(4aR,10bS)-2-methyl-1,3,4,4a,5,10b-hexahydrothiochromeno[4,3-c]pyridine;hydrochloride
CID 70427817
(3S)-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol
CID 26385164
3-prop-1-en-2-yl-2,3-dihydro-1-benzothiophene
CID 89250022
(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine
CID 11788638
N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine
CID 81302250

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,9b-tetrahydro-1H-thiochromeno[4,3-c][1,2]oxazole?
The IUPAC name of 3,3a,4,9b-tetrahydro-1H-thiochromeno[4,3-c][1,2]oxazole (CID 70343292) is 3,3a,4,9b-tetrahydro-1H-thiochromeno[4,3-c][1,2]oxazole.
What is the SMILES notation for 3,3a,4,9b-tetrahydro-1H-thiochromeno[4,3-c][1,2]oxazole?
The canonical SMILES for 3,3a,4,9b-tetrahydro-1H-thiochromeno[4,3-c][1,2]oxazole is c1ccc2c(c1)SCC1CONC21.
What is the InChIKey of 3,3a,4,9b-tetrahydro-1H-thiochromeno[4,3-c][1,2]oxazole?
The InChIKey is BORJSLSXJOPBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-2-4-9-8(3-1)10-7(6-13-9)5-12-11-10/h1-4,7,10-11H,5-6H2.
What are the key properties of 3,3a,4,9b-tetrahydro-1H-thiochromeno[4,3-c][1,2]oxazole?
3,3a,4,9b-tetrahydro-1H-thiochromeno[4,3-c][1,2]oxazole has a molecular weight of 193.27 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,9b-tetrahydro-1H-thiochromeno[4,3-c][1,2]oxazole is sourced from PubChem (CID 70343292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).