5-aminopentane-1,2-dithiol

C5H13NS2 — CID 166165559

IUPAC5-aminopentane-1,2-dithiol
SMILESNCCCC(S)CS
InChIInChI=1S/C5H13NS2/c6-3-1-2-5(8)4-7/h5,7-8H,1-4,6H2
InChIKeyVMBMAUHWNRLAQI-UHFFFAOYSA-N
MW151.30 g/mol
LogP0.95
Rot. Bonds4

About 5-aminopentane-1,2-dithiol

5-aminopentane-1,2-dithiol (PubChem CID 166165559) has the molecular formula C5H13NS2 and a molecular weight of 151.30 g/mol. Its IUPAC name is 5-aminopentane-1,2-dithiol.

Molecular Properties

Compound Name5-aminopentane-1,2-dithiol
PubChem CID166165559
Molecular FormulaC5H13NS2
Molecular Weight151.30 g/mol
Exact Mass151.05
IUPAC Name5-aminopentane-1,2-dithiol
SMILESNCCCC(S)CS
InChIInChI=1S/C5H13NS2/c6-3-1-2-5(8)4-7/h5,7-8H,1-4,6H2
InChIKeyVMBMAUHWNRLAQI-UHFFFAOYSA-N
XLogP0.95
TPSA26.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.30
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pentane-1,2,5-trithiol
CID 87093666
7-aminoheptane-1,3-dithiol
CID 167040747
(2S)-2,5-diaminopentane-1-thiol
CID 175679057
3-aminopropane-1,2-dithiol
CID 54490245
decane-1,2-dithiol
CID 11229528
1-aminooctacosane-10-thiol
CID 123711859
1-aminoundecane-6-thiol
CID 175712027
tridecane-1,4,7,10,13-pentamine
CID 86224803
heptane-1,4,7-triamine;tetrahydrochloride
CID 172714614
4-(methylamino)butane-1,2-dithiol
CID 89300399
2,5-diaminopentane-1,3-dithiol
CID 90830615
octane-1,4,8-triamine
CID 18544198

Frequently Asked Questions

What is the IUPAC name of 5-aminopentane-1,2-dithiol?
The IUPAC name of 5-aminopentane-1,2-dithiol (CID 166165559) is 5-aminopentane-1,2-dithiol.
What is the SMILES notation for 5-aminopentane-1,2-dithiol?
The canonical SMILES for 5-aminopentane-1,2-dithiol is NCCCC(S)CS.
What is the InChIKey of 5-aminopentane-1,2-dithiol?
The InChIKey is VMBMAUHWNRLAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS2/c6-3-1-2-5(8)4-7/h5,7-8H,1-4,6H2.
What are the key properties of 5-aminopentane-1,2-dithiol?
5-aminopentane-1,2-dithiol has a molecular weight of 151.30 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopentane-1,2-dithiol is sourced from PubChem (CID 166165559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).