11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene

C13H8S2 — CID 137421775

IUPAC11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene
SMILESc1ccc2c(c1)Cc1c-2sc2ccsc12
InChIInChI=1S/C13H8S2/c1-2-4-9-8(3-1)7-10-12(9)15-11-5-6-14-13(10)11/h1-6H,7H2
InChIKeyIQBHENYSEUHGCD-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.53
Rot. Bonds

About 11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene

11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene (PubChem CID 137421775) has the molecular formula C13H8S2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene.

Molecular Properties

Compound Name11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene
PubChem CID137421775
Molecular FormulaC13H8S2
Molecular Weight228.34 g/mol
Exact Mass228.01
IUPAC Name11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene
SMILESc1ccc2c(c1)Cc1c-2sc2ccsc12
InChIInChI=1S/C13H8S2/c1-2-4-9-8(3-1)7-10-12(9)15-11-5-6-14-13(10)11/h1-6H,7H2
InChIKeyIQBHENYSEUHGCD-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene with MolForge

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Related Compounds

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CID 137421927
4,8-dithiapentacyclo[10.7.0.02,9.03,7.014,19]nonadeca-1(12),2(9),3(7),5,10,14,16,18-octaen-11-ol
CID 122516735
2,14-dimethyl-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1,3(13),4(11),6(10),7,14,16(23),18(22),19-nonaene
CID 126491861
14,28-dithiaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),7,9,11,15,18(27),21,23,25-undecaene-5,19-dione
CID 70650465
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Frequently Asked Questions

What is the IUPAC name of 11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene?
The IUPAC name of 11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene (CID 137421775) is 11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene.
What is the SMILES notation for 11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene?
The canonical SMILES for 11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene is c1ccc2c(c1)Cc1c-2sc2ccsc12.
What is the InChIKey of 11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene?
The InChIKey is IQBHENYSEUHGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8S2/c1-2-4-9-8(3-1)7-10-12(9)15-11-5-6-14-13(10)11/h1-6H,7H2.
What are the key properties of 11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene?
11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene has a molecular weight of 228.34 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene is sourced from PubChem (CID 137421775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).