adamantane-2-thiol

C10H16S — CID 584813

IUPACadamantane-2-thiol
SMILESSC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C10H16S/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5H2
InChIKeyNGQCHEXEOUXSFF-UHFFFAOYSA-N
MW168.30 g/mol
LogP2.74
Rot. Bonds

About adamantane-2-thiol

adamantane-2-thiol (PubChem CID 584813) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is adamantane-2-thiol.

Molecular Properties

Compound Nameadamantane-2-thiol
PubChem CID584813
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Nameadamantane-2-thiol
SMILESSC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C10H16S/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5H2
InChIKeyNGQCHEXEOUXSFF-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

1-Adamantylthiol
CID 99730
2-(Methylthio)adamantane
CID 12386069
1,3-Bis(sulfanylmethyl)adamantane
CID 86170738
1,3,5-Trimercaptomethyladamantane
CID 129748318
Dithio adamantane
CID 129808398
Di(2-adamantyl) disulfide
CID 13117838
2,4,6,8-Tetrathioadamantane
CID 129808265
6,8-Tetrathioadamantane
CID 129809448
4,6,8-Tetrathio-adamantane
CID 129819211
8,9,10-Hexathioadamantane
CID 129819304
2-Butylsulfanyladamantane
CID 101801095
(Adamantan-1-yl)methanethiol
CID 12159624

Frequently Asked Questions

What is the IUPAC name of adamantane-2-thiol?
The IUPAC name of adamantane-2-thiol (CID 584813) is adamantane-2-thiol.
What is the SMILES notation for adamantane-2-thiol?
The canonical SMILES for adamantane-2-thiol is SC1C2CC3CC(C2)CC1C3.
What is the InChIKey of adamantane-2-thiol?
The InChIKey is NGQCHEXEOUXSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5H2.
What are the key properties of adamantane-2-thiol?
adamantane-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 adamantane-2-thiol is sourced from PubChem (CID 584813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).