2-(6-tricyclo[3.2.1.03,8]octanyl)ethanethiol

C10H16S — CID 142340205

IUPAC2-(6-tricyclo[3.2.1.03,8]octanyl)ethanethiol
SMILESSCCC1CC2CC3CC1C23
InChIInChI=1S/C10H16S/c11-2-1-6-3-7-4-8-5-9(6)10(7)8/h6-11H,1-5H2
InChIKeySDKBHYZOOUUGRA-UHFFFAOYSA-N
MW168.30 g/mol
LogP2.60
Rot. Bonds2

About 2-(6-tricyclo[3.2.1.03,8]octanyl)ethanethiol

2-(6-tricyclo[3.2.1.03,8]octanyl)ethanethiol (PubChem CID 142340205) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 2-(6-tricyclo[3.2.1.03,8]octanyl)ethanethiol.

Molecular Properties

Compound Name2-(6-tricyclo[3.2.1.03,8]octanyl)ethanethiol
PubChem CID142340205
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name2-(6-tricyclo[3.2.1.03,8]octanyl)ethanethiol
SMILESSCCC1CC2CC3CC1C23
InChIInChI=1S/C10H16S/c11-2-1-6-3-7-4-8-5-9(6)10(7)8/h6-11H,1-5H2
InChIKeySDKBHYZOOUUGRA-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 52.60
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-[4-(2-hydroxyethyl)-11-pentacyclo[6.5.1.13,6.02,7.09,13]pentadecanyl]ethanol
CID 126608083
4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 22898213
4-[3-(4-pentacyclo[6.5.1.13,6.02,7.09,13]pentadecanyl)propyl]pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 163823872
6-[2-[[5-(2-sulfanylethyl)-2-bicyclo[2.2.1]heptanyl]sulfanyl]ethyl]bicyclo[2.2.1]heptane-2-thiol
CID 122449200
6-(2-sulfanylethyl)bicyclo[2.2.1]heptane-2-thiol
CID 122440979
ethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol
CID 159961877
4-(2,2-difluoroethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 58436095
(16S,21R,23R,25S,28S,30R,32S,34R,37R,39S,41R,46S)-nonadecacyclo[41.11.1.17,19.110,52.116,28.125,37.134,46.03,53.05,9.08,12.014,18.017,21.023,27.026,30.032,36.035,39.041,45.044,48.050,54]hexacontane
CID 134943434
4-(2-fluoro-2-methylpropyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 91325104
[1-[(1R,2R,3S,4S,5R,6R)-6-(hydroxymethyl)-3-tricyclo[3.2.1.02,4]octanyl]-2-methylprop-1-enyl] acetate
CID 11687454
(8R)-4-propyl-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-11-one
CID 146261960
4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl formate
CID 89209334

Frequently Asked Questions

What is the IUPAC name of 2-(6-tricyclo[3.2.1.03,8]octanyl)ethanethiol?
The IUPAC name of 2-(6-tricyclo[3.2.1.03,8]octanyl)ethanethiol (CID 142340205) is 2-(6-tricyclo[3.2.1.03,8]octanyl)ethanethiol.
What is the SMILES notation for 2-(6-tricyclo[3.2.1.03,8]octanyl)ethanethiol?
The canonical SMILES for 2-(6-tricyclo[3.2.1.03,8]octanyl)ethanethiol is SCCC1CC2CC3CC1C23.
What is the InChIKey of 2-(6-tricyclo[3.2.1.03,8]octanyl)ethanethiol?
The InChIKey is SDKBHYZOOUUGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c11-2-1-6-3-7-4-8-5-9(6)10(7)8/h6-11H,1-5H2.
What are the key properties of 2-(6-tricyclo[3.2.1.03,8]octanyl)ethanethiol?
2-(6-tricyclo[3.2.1.03,8]octanyl)ethanethiol has a molecular weight of 168.30 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tricyclo[3.2.1.03,8]octanyl)ethanethiol is sourced from PubChem (CID 142340205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).