6-(dimethylamino)hexane-1-thiol

C8H19NS — CID 12947130

IUPAC6-(dimethylamino)hexane-1-thiol
SMILESCN(C)CCCCCCS
InChIInChI=1S/C8H19NS/c1-9(2)7-5-3-4-6-8-10/h10H,3-8H2,1-2H3
InChIKeyARFGPYQKHFAQIO-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.04
Rot. Bonds6

About 6-(dimethylamino)hexane-1-thiol

6-(dimethylamino)hexane-1-thiol (PubChem CID 12947130) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is 6-(dimethylamino)hexane-1-thiol.

Molecular Properties

Compound Name6-(dimethylamino)hexane-1-thiol
PubChem CID12947130
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name6-(dimethylamino)hexane-1-thiol
SMILESCN(C)CCCCCCS
InChIInChI=1S/C8H19NS/c1-9(2)7-5-3-4-6-8-10/h10H,3-8H2,1-2H3
InChIKeyARFGPYQKHFAQIO-UHFFFAOYSA-N
XLogP2.04
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)hexane-1-thiol?
The IUPAC name of 6-(dimethylamino)hexane-1-thiol (CID 12947130) is 6-(dimethylamino)hexane-1-thiol.
What is the SMILES notation for 6-(dimethylamino)hexane-1-thiol?
The canonical SMILES for 6-(dimethylamino)hexane-1-thiol is CN(C)CCCCCCS.
What is the InChIKey of 6-(dimethylamino)hexane-1-thiol?
The InChIKey is ARFGPYQKHFAQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-9(2)7-5-3-4-6-8-10/h10H,3-8H2,1-2H3.
What are the key properties of 6-(dimethylamino)hexane-1-thiol?
6-(dimethylamino)hexane-1-thiol has a molecular weight of 161.31 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)hexane-1-thiol is sourced from PubChem (CID 12947130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).