(4aS,7aS)-2,4a-dimethyl-5,6,7,7a-tetrahydro-4H-cyclopenta[b]thiopyran

C10H16S — CID 134877297

IUPAC(4aS,7aS)-2,4a-dimethyl-5,6,7,7a-tetrahydro-4H-cyclopenta[b]thiopyran
SMILESCC1=CC[C@]2(C)CCC[C@@H]2S1
InChIInChI=1S/C10H16S/c1-8-5-7-10(2)6-3-4-9(10)11-8/h5,9H,3-4,6-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyJTZBSMRSXLQISV-UWVGGRQHSA-N
MW168.31 g/mol
LogP3.59
Rot. Bonds

About (4aS,7aS)-2,4a-dimethyl-5,6,7,7a-tetrahydro-4H-cyclopenta[b]thiopyran

(4aS,7aS)-2,4a-dimethyl-5,6,7,7a-tetrahydro-4H-cyclopenta[b]thiopyran (PubChem CID 134877297) has the molecular formula C10H16S and a molecular weight of 168.31 g/mol. Its IUPAC name is (4aS,7aS)-2,4a-dimethyl-5,6,7,7a-tetrahydro-4H-cyclopenta[b]thiopyran.

Molecular Properties

Compound Name(4aS,7aS)-2,4a-dimethyl-5,6,7,7a-tetrahydro-4H-cyclopenta[b]thiopyran
PubChem CID134877297
Molecular FormulaC10H16S
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name(4aS,7aS)-2,4a-dimethyl-5,6,7,7a-tetrahydro-4H-cyclopenta[b]thiopyran
SMILESCC1=CC[C@]2(C)CCC[C@@H]2S1
InChIInChI=1S/C10H16S/c1-8-5-7-10(2)6-3-4-9(10)11-8/h5,9H,3-4,6-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyJTZBSMRSXLQISV-UWVGGRQHSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aS,7aS)-2,4a-dimethyl-5,6,7,7a-tetrahydro-4H-cyclopenta[b]thiopyran?
The IUPAC name of (4aS,7aS)-2,4a-dimethyl-5,6,7,7a-tetrahydro-4H-cyclopenta[b]thiopyran (CID 134877297) is (4aS,7aS)-2,4a-dimethyl-5,6,7,7a-tetrahydro-4H-cyclopenta[b]thiopyran.
What is the SMILES notation for (4aS,7aS)-2,4a-dimethyl-5,6,7,7a-tetrahydro-4H-cyclopenta[b]thiopyran?
The canonical SMILES for (4aS,7aS)-2,4a-dimethyl-5,6,7,7a-tetrahydro-4H-cyclopenta[b]thiopyran is CC1=CC[C@]2(C)CCC[C@@H]2S1.
What is the InChIKey of (4aS,7aS)-2,4a-dimethyl-5,6,7,7a-tetrahydro-4H-cyclopenta[b]thiopyran?
The InChIKey is JTZBSMRSXLQISV-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H16S/c1-8-5-7-10(2)6-3-4-9(10)11-8/h5,9H,3-4,6-7H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (4aS,7aS)-2,4a-dimethyl-5,6,7,7a-tetrahydro-4H-cyclopenta[b]thiopyran?
(4aS,7aS)-2,4a-dimethyl-5,6,7,7a-tetrahydro-4H-cyclopenta[b]thiopyran has a molecular weight of 168.31 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aS)-2,4a-dimethyl-5,6,7,7a-tetrahydro-4H-cyclopenta[b]thiopyran is sourced from PubChem (CID 134877297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).