7-methyltricyclo[3.2.2.01,4]nonane-2-thiol

C10H16S — CID 134438038

IUPAC7-methyltricyclo[3.2.2.01,4]nonane-2-thiol
SMILESCC1CC2CCC13C(S)CC23
InChIInChI=1S/C10H16S/c1-6-4-7-2-3-10(6)8(7)5-9(10)11/h6-9,11H,2-5H2,1H3
InChIKeyCHYMQUNYOLTDEO-UHFFFAOYSA-N
MW168.30 g/mol
LogP2.74
Rot. Bonds

About 7-methyltricyclo[3.2.2.01,4]nonane-2-thiol

7-methyltricyclo[3.2.2.01,4]nonane-2-thiol (PubChem CID 134438038) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 7-methyltricyclo[3.2.2.01,4]nonane-2-thiol.

Molecular Properties

Compound Name7-methyltricyclo[3.2.2.01,4]nonane-2-thiol
PubChem CID134438038
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name7-methyltricyclo[3.2.2.01,4]nonane-2-thiol
SMILESCC1CC2CCC13C(S)CC23
InChIInChI=1S/C10H16S/c1-6-4-7-2-3-10(6)8(7)5-9(10)11/h6-9,11H,2-5H2,1H3
InChIKeyCHYMQUNYOLTDEO-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2',3-dimethylspiro[bicyclo[3.1.0]hexane-6,1'-cyclobutane]
CID 91319606
(2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]
CID 162269699
(5S)-5-methyl-6,6-di(propan-2-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene
CID 162269378
(3R,3'S)-2'-ethyl-3'-iodo-3-methylspiro[bicyclo[3.2.0]heptane-2,4'-cyclopentane]-1'-amine
CID 163943692
6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene
CID 174846059
6-methyltricyclo[2.2.1.01,3]heptane
CID 123381875
(1S,2S)-tetracyclo[4.4.0.01,7.02,4]decane
CID 163768070
2,2-difluoro-3-methylbicyclo[3.1.0]hexane;ethane
CID 144625006
(6R)-11-methyl-1-azaspiro[5.5]undecane
CID 121388678
CID 18798545
CID 18798545
(1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol
CID 124810976
1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol
CID 15801257

Frequently Asked Questions

What is the IUPAC name of 7-methyltricyclo[3.2.2.01,4]nonane-2-thiol?
The IUPAC name of 7-methyltricyclo[3.2.2.01,4]nonane-2-thiol (CID 134438038) is 7-methyltricyclo[3.2.2.01,4]nonane-2-thiol.
What is the SMILES notation for 7-methyltricyclo[3.2.2.01,4]nonane-2-thiol?
The canonical SMILES for 7-methyltricyclo[3.2.2.01,4]nonane-2-thiol is CC1CC2CCC13C(S)CC23.
What is the InChIKey of 7-methyltricyclo[3.2.2.01,4]nonane-2-thiol?
The InChIKey is CHYMQUNYOLTDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-6-4-7-2-3-10(6)8(7)5-9(10)11/h6-9,11H,2-5H2,1H3.
What are the key properties of 7-methyltricyclo[3.2.2.01,4]nonane-2-thiol?
7-methyltricyclo[3.2.2.01,4]nonane-2-thiol has a molecular weight of 168.30 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyltricyclo[3.2.2.01,4]nonane-2-thiol is sourced from PubChem (CID 134438038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).