(4S,5S)-2,4,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene

C10H16S — CID 135202053

IUPAC(4S,5S)-2,4,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
SMILESCC1=CC2C(C[C@H](C)[C@@H]2C)S1
InChIInChI=1S/C10H16S/c1-6-4-10-9(8(6)3)5-7(2)11-10/h5-6,8-10H,4H2,1-3H3/t6-,8-,9?,10?/m0/s1
InChIKeyBRYOPQWEPWQXJA-FXQVNJNESA-N
MW168.30 g/mol
LogP3.30
Rot. Bonds

About (4S,5S)-2,4,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene

(4S,5S)-2,4,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene (PubChem CID 135202053) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is (4S,5S)-2,4,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene.

Molecular Properties

Compound Name(4S,5S)-2,4,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
PubChem CID135202053
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name(4S,5S)-2,4,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
SMILESCC1=CC2C(C[C@H](C)[C@@H]2C)S1
InChIInChI=1S/C10H16S/c1-6-4-10-9(8(6)3)5-7(2)11-10/h5-6,8-10H,4H2,1-3H3/t6-,8-,9?,10?/m0/s1
InChIKeyBRYOPQWEPWQXJA-FXQVNJNESA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2,4,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
The IUPAC name of (4S,5S)-2,4,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene (CID 135202053) is (4S,5S)-2,4,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene.
What is the SMILES notation for (4S,5S)-2,4,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
The canonical SMILES for (4S,5S)-2,4,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene is CC1=CC2C(C[C@H](C)[C@@H]2C)S1.
What is the InChIKey of (4S,5S)-2,4,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
The InChIKey is BRYOPQWEPWQXJA-FXQVNJNESA-N. The full InChI is InChI=1S/C10H16S/c1-6-4-10-9(8(6)3)5-7(2)11-10/h5-6,8-10H,4H2,1-3H3/t6-,8-,9?,10?/m0/s1.
What are the key properties of (4S,5S)-2,4,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
(4S,5S)-2,4,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene has a molecular weight of 168.30 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2,4,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene is sourced from PubChem (CID 135202053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).