(1S)-4-methyl-2-thiaspiro[4.5]deca-6,8-dien-1-ol

C10H14OS — CID 134986179

IUPAC(1S)-4-methyl-2-thiaspiro[4.5]deca-6,8-dien-1-ol
SMILESCC1CS[C@H](O)C12C=CC=CC2
InChIInChI=1S/C10H14OS/c1-8-7-12-9(11)10(8)5-3-2-4-6-10/h2-5,8-9,11H,6-7H2,1H3/t8?,9-,10?/m0/s1
InChIKeyYODJPSPXMFTHLG-KYHHOPLUSA-N
MW182.29 g/mol
LogP2.19
Rot. Bonds

About (1S)-4-methyl-2-thiaspiro[4.5]deca-6,8-dien-1-ol

(1S)-4-methyl-2-thiaspiro[4.5]deca-6,8-dien-1-ol (PubChem CID 134986179) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is (1S)-4-methyl-2-thiaspiro[4.5]deca-6,8-dien-1-ol.

Molecular Properties

Compound Name(1S)-4-methyl-2-thiaspiro[4.5]deca-6,8-dien-1-ol
PubChem CID134986179
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name(1S)-4-methyl-2-thiaspiro[4.5]deca-6,8-dien-1-ol
SMILESCC1CS[C@H](O)C12C=CC=CC2
InChIInChI=1S/C10H14OS/c1-8-7-12-9(11)10(8)5-3-2-4-6-10/h2-5,8-9,11H,6-7H2,1H3/t8?,9-,10?/m0/s1
InChIKeyYODJPSPXMFTHLG-KYHHOPLUSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-methyl-2-thiaspiro[4.5]deca-6,8-dien-1-ol?
The IUPAC name of (1S)-4-methyl-2-thiaspiro[4.5]deca-6,8-dien-1-ol (CID 134986179) is (1S)-4-methyl-2-thiaspiro[4.5]deca-6,8-dien-1-ol.
What is the SMILES notation for (1S)-4-methyl-2-thiaspiro[4.5]deca-6,8-dien-1-ol?
The canonical SMILES for (1S)-4-methyl-2-thiaspiro[4.5]deca-6,8-dien-1-ol is CC1CS[C@H](O)C12C=CC=CC2.
What is the InChIKey of (1S)-4-methyl-2-thiaspiro[4.5]deca-6,8-dien-1-ol?
The InChIKey is YODJPSPXMFTHLG-KYHHOPLUSA-N. The full InChI is InChI=1S/C10H14OS/c1-8-7-12-9(11)10(8)5-3-2-4-6-10/h2-5,8-9,11H,6-7H2,1H3/t8?,9-,10?/m0/s1.
What are the key properties of (1S)-4-methyl-2-thiaspiro[4.5]deca-6,8-dien-1-ol?
(1S)-4-methyl-2-thiaspiro[4.5]deca-6,8-dien-1-ol has a molecular weight of 182.29 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-methyl-2-thiaspiro[4.5]deca-6,8-dien-1-ol is sourced from PubChem (CID 134986179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).