2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene

C13H14S — CID 134975750

IUPAC2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
SMILESC1=C(c2ccccc2)SC2CCCC12
InChIInChI=1S/C13H14S/c1-2-5-10(6-3-1)13-9-11-7-4-8-12(11)14-13/h1-3,5-6,9,11-12H,4,7-8H2
InChIKeyWNMKXHCZCYDDPR-UHFFFAOYSA-N
MW202.32 g/mol
LogP3.94
Rot. Bonds1

About 2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene

2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene (PubChem CID 134975750) has the molecular formula C13H14S and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene.

Molecular Properties

Compound Name2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
PubChem CID134975750
Molecular FormulaC13H14S
Molecular Weight202.32 g/mol
Exact Mass202.08
IUPAC Name2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
SMILESC1=C(c2ccccc2)SC2CCCC12
InChIInChI=1S/C13H14S/c1-2-5-10(6-3-1)13-9-11-7-4-8-12(11)14-13/h1-3,5-6,9,11-12H,4,7-8H2
InChIKeyWNMKXHCZCYDDPR-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S,4aR,8aS)-4-benzyl-2-phenyl-4a,5,6,7,8,8a-hexahydro-4H-thiochromene
CID 11918891
(3aS,7aR)-2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole
CID 12652751
(2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran
CID 101223989
8-phenylbicyclo[3.2.2]non-8-en-6-ol
CID 68719725
4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyridazine
CID 123991921
(2S,6S)-2,6-diphenylthiane
CID 7065629
1,1'-biphenyl;cycloheptane
CID 174877368
[(2S,3R,4R)-2-(hydroxymethyl)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanol
CID 10425675
1,1'-biphenyl;cyclohexylbenzene
CID 141106050
6-phenyl-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 85138935
3-phenyl-9-azabicyclo[3.3.1]non-2-ene
CID 70023991
1-(5-phenyl-2,3-dihydrothiophen-3-yl)pyrrolidine
CID 71334353

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
The IUPAC name of 2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene (CID 134975750) is 2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene.
What is the SMILES notation for 2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
The canonical SMILES for 2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene is C1=C(c2ccccc2)SC2CCCC12.
What is the InChIKey of 2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
The InChIKey is WNMKXHCZCYDDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14S/c1-2-5-10(6-3-1)13-9-11-7-4-8-12(11)14-13/h1-3,5-6,9,11-12H,4,7-8H2.
What are the key properties of 2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene has a molecular weight of 202.32 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene is sourced from PubChem (CID 134975750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).