(2Z,5Z)-4-thiabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene

C11H10S — CID 23247675

IUPAC(2Z,5Z)-4-thiabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene
SMILESC1=CC=C2/C=C\S/C=C\C(=C1)C2
InChIInChI=1S/C11H10S/c1-2-4-11-6-8-12-7-5-10(3-1)9-11/h1-8H,9H2/b7-5-,8-6-
InChIKeyYOGIRYKSHRZUBS-SFECMWDFSA-N
MW174.27 g/mol
LogP3.57
Rot. Bonds

About (2Z,5Z)-4-thiabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene

(2Z,5Z)-4-thiabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene (PubChem CID 23247675) has the molecular formula C11H10S and a molecular weight of 174.27 g/mol. Its IUPAC name is (2Z,5Z)-4-thiabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene.

Molecular Properties

Compound Name(2Z,5Z)-4-thiabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene
PubChem CID23247675
Molecular FormulaC11H10S
Molecular Weight174.27 g/mol
Exact Mass174.05
IUPAC Name(2Z,5Z)-4-thiabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene
SMILESC1=CC=C2/C=C\S/C=C\C(=C1)C2
InChIInChI=1S/C11H10S/c1-2-4-11-6-8-12-7-5-10(3-1)9-11/h1-8H,9H2/b7-5-,8-6-
InChIKeyYOGIRYKSHRZUBS-SFECMWDFSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bicyclo[3.3.1]nona-1,3,5,7-tetraene
CID 141161601
bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene
CID 71437852
bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaen-4-one
CID 2751995
bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-ol
CID 12859387
2-[(2Z,5Z)-4-bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaenylidene]propanedinitrile
CID 102090566
bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-3-carboxylic acid
CID 12564651
bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2-carbonitrile
CID 12840769
2-(3-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)acetonitrile
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CID 20704497
5-methoxy-4-azabicyclo[6.4.1]trideca-1(12),2,4,6,8,10-hexaene
CID 71364933
(2E,4E,6E,8E,10E,12E,18E,20E,22E,24E,26E,28E,30Z)-13,18-ditert-butylbicyclo[30.4.1]heptatriaconta-1(36),2,4,6,8,10,12,18,20,22,24,26,28,30,32,34-hexadecaen-14,16-diyne
CID 23281296
bicyclo[2.2.1]hepta-1,3,5-triene;cyanamide
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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-4-thiabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene?
The IUPAC name of (2Z,5Z)-4-thiabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene (CID 23247675) is (2Z,5Z)-4-thiabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene.
What is the SMILES notation for (2Z,5Z)-4-thiabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene?
The canonical SMILES for (2Z,5Z)-4-thiabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene is C1=CC=C2/C=C\S/C=C\C(=C1)C2.
What is the InChIKey of (2Z,5Z)-4-thiabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene?
The InChIKey is YOGIRYKSHRZUBS-SFECMWDFSA-N. The full InChI is InChI=1S/C11H10S/c1-2-4-11-6-8-12-7-5-10(3-1)9-11/h1-8H,9H2/b7-5-,8-6-.
What are the key properties of (2Z,5Z)-4-thiabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene?
(2Z,5Z)-4-thiabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene has a molecular weight of 174.27 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-4-thiabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene is sourced from PubChem (CID 23247675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).