(8S)-4,7,7,8-tetramethyl-6-thiabicyclo[3.2.1]octane

C11H20S — CID 167165041

IUPAC(8S)-4,7,7,8-tetramethyl-6-thiabicyclo[3.2.1]octane
SMILESCC1CCC2[C@H](C)C1SC2(C)C
InChIInChI=1S/C11H20S/c1-7-5-6-9-8(2)10(7)12-11(9,3)4/h7-10H,5-6H2,1-4H3/t7?,8-,9?,10?/m0/s1
InChIKeyRJYIEAQSVDJHLZ-QKTHJCGZSA-N
MW184.35 g/mol
LogP3.56
Rot. Bonds

About (8S)-4,7,7,8-tetramethyl-6-thiabicyclo[3.2.1]octane

(8S)-4,7,7,8-tetramethyl-6-thiabicyclo[3.2.1]octane (PubChem CID 167165041) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is (8S)-4,7,7,8-tetramethyl-6-thiabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(8S)-4,7,7,8-tetramethyl-6-thiabicyclo[3.2.1]octane
PubChem CID167165041
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name(8S)-4,7,7,8-tetramethyl-6-thiabicyclo[3.2.1]octane
SMILESCC1CCC2[C@H](C)C1SC2(C)C
InChIInChI=1S/C11H20S/c1-7-5-6-9-8(2)10(7)12-11(9,3)4/h7-10H,5-6H2,1-4H3/t7?,8-,9?,10?/m0/s1
InChIKeyRJYIEAQSVDJHLZ-QKTHJCGZSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8S)-4,7,7,8-tetramethyl-6-thiabicyclo[3.2.1]octane?
The IUPAC name of (8S)-4,7,7,8-tetramethyl-6-thiabicyclo[3.2.1]octane (CID 167165041) is (8S)-4,7,7,8-tetramethyl-6-thiabicyclo[3.2.1]octane.
What is the SMILES notation for (8S)-4,7,7,8-tetramethyl-6-thiabicyclo[3.2.1]octane?
The canonical SMILES for (8S)-4,7,7,8-tetramethyl-6-thiabicyclo[3.2.1]octane is CC1CCC2[C@H](C)C1SC2(C)C.
What is the InChIKey of (8S)-4,7,7,8-tetramethyl-6-thiabicyclo[3.2.1]octane?
The InChIKey is RJYIEAQSVDJHLZ-QKTHJCGZSA-N. The full InChI is InChI=1S/C11H20S/c1-7-5-6-9-8(2)10(7)12-11(9,3)4/h7-10H,5-6H2,1-4H3/t7?,8-,9?,10?/m0/s1.
What are the key properties of (8S)-4,7,7,8-tetramethyl-6-thiabicyclo[3.2.1]octane?
(8S)-4,7,7,8-tetramethyl-6-thiabicyclo[3.2.1]octane has a molecular weight of 184.35 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-4,7,7,8-tetramethyl-6-thiabicyclo[3.2.1]octane is sourced from PubChem (CID 167165041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).