12-oxa-10-thiatricyclo[6.3.1.02,7]dodeca-2,4,6-triene

C10H10OS — CID 59518927

IUPAC12-oxa-10-thiatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
SMILESc1ccc2c(c1)C1CSCC2O1
InChIInChI=1S/C10H10OS/c1-2-4-8-7(3-1)9-5-12-6-10(8)11-9/h1-4,9-10H,5-6H2
InChIKeyVEHWSPJQTWNNJJ-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.55
Rot. Bonds

About 12-oxa-10-thiatricyclo[6.3.1.02,7]dodeca-2,4,6-triene

12-oxa-10-thiatricyclo[6.3.1.02,7]dodeca-2,4,6-triene (PubChem CID 59518927) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is 12-oxa-10-thiatricyclo[6.3.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name12-oxa-10-thiatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
PubChem CID59518927
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name12-oxa-10-thiatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
SMILESc1ccc2c(c1)C1CSCC2O1
InChIInChI=1S/C10H10OS/c1-2-4-8-7(3-1)9-5-12-6-10(8)11-9/h1-4,9-10H,5-6H2
InChIKeyVEHWSPJQTWNNJJ-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-thiatricyclo[6.3.2.02,7]trideca-2,4,6-triene
CID 59518921
8-oxatricyclo[4.3.0.07,9]nona-1,3,5-triene
CID 87081194
(1S,6R,14R,19S)-27,28-dioxaheptacyclo[17.7.1.16,14.02,17.04,15.07,12.020,25]octacosa-2(17),3,7,9,11,15,20,22,24-nonaene
CID 139054065
9,11-dioxatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-one
CID 175866594
3-(12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)propan-1-ol
CID 14208749
15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene;oxirane
CID 174818329
9-(benzenesulfonyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 74340992
(2S,6R)-4-bromo-2,6-bis(2-fluorophenyl)oxane
CID 166436706
(2S,6R)-4-chloro-2,6-bis(2-methylphenyl)oxane
CID 11033937
(1R,8S,9R,11S)-10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2,4,6-triene
CID 102239877
(9R,11S)-10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2,4,6-triene
CID 22216431
(1R,8S,9S,11R)-10-oxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene
CID 13467286

Frequently Asked Questions

What is the IUPAC name of 12-oxa-10-thiatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
The IUPAC name of 12-oxa-10-thiatricyclo[6.3.1.02,7]dodeca-2,4,6-triene (CID 59518927) is 12-oxa-10-thiatricyclo[6.3.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for 12-oxa-10-thiatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
The canonical SMILES for 12-oxa-10-thiatricyclo[6.3.1.02,7]dodeca-2,4,6-triene is c1ccc2c(c1)C1CSCC2O1.
What is the InChIKey of 12-oxa-10-thiatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
The InChIKey is VEHWSPJQTWNNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c1-2-4-8-7(3-1)9-5-12-6-10(8)11-9/h1-4,9-10H,5-6H2.
What are the key properties of 12-oxa-10-thiatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
12-oxa-10-thiatricyclo[6.3.1.02,7]dodeca-2,4,6-triene has a molecular weight of 178.26 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-oxa-10-thiatricyclo[6.3.1.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 59518927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).