2,3lambda4,4-trithiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide

C10H6OS3 — CID 11264914

IUPAC2,3lambda4,4-trithiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide
SMILESO=S1Sc2cccc3cccc(c23)S1
InChIInChI=1S/C10H6OS3/c11-14-12-8-5-1-3-7-4-2-6-9(13-14)10(7)8/h1-6H
InChIKeyQWLZDIZZXHMCCT-UHFFFAOYSA-N
MW238.36 g/mol
LogP3.62
Rot. Bonds

About 2,3lambda4,4-trithiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide

2,3lambda4,4-trithiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide (PubChem CID 11264914) has the molecular formula C10H6OS3 and a molecular weight of 238.36 g/mol. Its IUPAC name is 2,3lambda4,4-trithiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide.

Molecular Properties

Compound Name2,3lambda4,4-trithiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide
PubChem CID11264914
Molecular FormulaC10H6OS3
Molecular Weight238.36 g/mol
Exact Mass237.96
IUPAC Name2,3lambda4,4-trithiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide
SMILESO=S1Sc2cccc3cccc(c23)S1
InChIInChI=1S/C10H6OS3/c11-14-12-8-5-1-3-7-4-2-6-9(13-14)10(7)8/h1-6H
InChIKeyQWLZDIZZXHMCCT-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

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CID 54433913
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CID 172822251
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CID 175873743
tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one
CID 139077179
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CID 13402446
2-thiapentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaen-12-one
CID 2824941
gadolinium;2-hydroxybenzo[de]isoquinoline-1,3-dione
CID 174736073
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CID 11121132
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
benzo[de]isoquinoline-1,3-dione;nickel
CID 175169723
2-benzofuran-1,3-dione;ethane;3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
CID 167655999
furan-2,5-dione;perylene
CID 159629653

Frequently Asked Questions

What is the IUPAC name of 2,3lambda4,4-trithiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide?
The IUPAC name of 2,3lambda4,4-trithiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide (CID 11264914) is 2,3lambda4,4-trithiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide.
What is the SMILES notation for 2,3lambda4,4-trithiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide?
The canonical SMILES for 2,3lambda4,4-trithiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide is O=S1Sc2cccc3cccc(c23)S1.
What is the InChIKey of 2,3lambda4,4-trithiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide?
The InChIKey is QWLZDIZZXHMCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6OS3/c11-14-12-8-5-1-3-7-4-2-6-9(13-14)10(7)8/h1-6H.
What are the key properties of 2,3lambda4,4-trithiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide?
2,3lambda4,4-trithiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide has a molecular weight of 238.36 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3lambda4,4-trithiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide is sourced from PubChem (CID 11264914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).