azane;hexane-1,1-dithiol

C6H17NS2 — CID 146444544

IUPACazane;hexane-1,1-dithiol
SMILESCCCCCC(S)S.N
InChIInChI=1S/C6H14S2.H3N/c1-2-3-4-5-6(7)8;/h6-8H,2-5H2,1H3;1H3
InChIKeyWGFTUKVGTNRVEW-UHFFFAOYSA-N
MW167.34 g/mol
LogP2.91
Rot. Bonds4

About azane;hexane-1,1-dithiol

azane;hexane-1,1-dithiol (PubChem CID 146444544) has the molecular formula C6H17NS2 and a molecular weight of 167.34 g/mol. Its IUPAC name is azane;hexane-1,1-dithiol.

Molecular Properties

Compound Nameazane;hexane-1,1-dithiol
PubChem CID146444544
Molecular FormulaC6H17NS2
Molecular Weight167.34 g/mol
Exact Mass167.08
IUPAC Nameazane;hexane-1,1-dithiol
SMILESCCCCCC(S)S.N
InChIInChI=1S/C6H14S2.H3N/c1-2-3-4-5-6(7)8;/h6-8H,2-5H2,1H3;1H3
InChIKeyWGFTUKVGTNRVEW-UHFFFAOYSA-N
XLogP2.91
TPSA35.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.34
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze azane;hexane-1,1-dithiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pentane-1,1-dithiol
CID 21192276
10-[10,10-bis(sulfanyl)decyl-decylamino]decane-1,1-dithiol
CID 160878782
(6R,7R)-dodecane-6,7-dithiol
CID 97050337
dodecane-6-thiol
CID 18757094
docosane-10,11-dithiol
CID 123269259
(9S,10S)-octadecane-9,10-dithiol
CID 98118372
hexadecane-6,7-dithiol
CID 91163003
azane;5-butyldecane
CID 118324151
1-iodooctane-1-thiol
CID 90280398
1-iodononatriacontane-1-thiol
CID 87857448
1-sulfanylheptan-1-ol
CID 10441848
1-sulfanyloctan-1-ol
CID 21400591

Frequently Asked Questions

What is the IUPAC name of azane;hexane-1,1-dithiol?
The IUPAC name of azane;hexane-1,1-dithiol (CID 146444544) is azane;hexane-1,1-dithiol.
What is the SMILES notation for azane;hexane-1,1-dithiol?
The canonical SMILES for azane;hexane-1,1-dithiol is CCCCCC(S)S.N.
What is the InChIKey of azane;hexane-1,1-dithiol?
The InChIKey is WGFTUKVGTNRVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S2.H3N/c1-2-3-4-5-6(7)8;/h6-8H,2-5H2,1H3;1H3.
What are the key properties of azane;hexane-1,1-dithiol?
azane;hexane-1,1-dithiol has a molecular weight of 167.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hexane-1,1-dithiol is sourced from PubChem (CID 146444544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).