ethane;pentane;thiohydroxylamine

C11H33NS — CID 144897257

IUPACethane;pentane;thiohydroxylamine
SMILESCC.CC.CC.CCCCC.NS
InChIInChI=1S/C5H12.3C2H6.H3NS/c1-3-5-4-2;4*1-2/h3-5H2,1-2H3;3*1-2H3;2H,1H2
InChIKeyKHOMLROJCUTFIN-UHFFFAOYSA-N
MW211.46 g/mol
LogP5.07
Rot. Bonds2

About ethane;pentane;thiohydroxylamine

ethane;pentane;thiohydroxylamine (PubChem CID 144897257) has the molecular formula C11H33NS and a molecular weight of 211.46 g/mol. Its IUPAC name is ethane;pentane;thiohydroxylamine.

Molecular Properties

Compound Nameethane;pentane;thiohydroxylamine
PubChem CID144897257
Molecular FormulaC11H33NS
Molecular Weight211.46 g/mol
Exact Mass211.23
IUPAC Nameethane;pentane;thiohydroxylamine
SMILESCC.CC.CC.CCCCC.NS
InChIInChI=1S/C5H12.3C2H6.H3NS/c1-3-5-4-2;4*1-2/h3-5H2,1-2H3;3*1-2H3;2H,1H2
InChIKeyKHOMLROJCUTFIN-UHFFFAOYSA-N
XLogP5.07
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500211.46
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;pentane;thiohydroxylamine 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

ethane;pentane;propane
CID 154691570
azane;ethane;pentane
CID 87640611
ethane;heptane;pentane
CID 142269041
ethanamine;pentane
CID 87764211
ethane;methanol;bis(pentane)
CID 142307969
hexadecakis(pentane);dihydrate
CID 173099119
CID 159411255
CID 159411255
pentane;propane
CID 91422342
zinc pentane
CID 19065630
alumane;pentane
CID 173125985
pentane;rhodium
CID 173105348
CID 157215984
CID 157215984

Frequently Asked Questions

What is the IUPAC name of ethane;pentane;thiohydroxylamine?
The IUPAC name of ethane;pentane;thiohydroxylamine (CID 144897257) is ethane;pentane;thiohydroxylamine.
What is the SMILES notation for ethane;pentane;thiohydroxylamine?
The canonical SMILES for ethane;pentane;thiohydroxylamine is CC.CC.CC.CCCCC.NS.
What is the InChIKey of ethane;pentane;thiohydroxylamine?
The InChIKey is KHOMLROJCUTFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.3C2H6.H3NS/c1-3-5-4-2;4*1-2/h3-5H2,1-2H3;3*1-2H3;2H,1H2.
What are the key properties of ethane;pentane;thiohydroxylamine?
ethane;pentane;thiohydroxylamine has a molecular weight of 211.46 g/mol, XLogP of 5.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pentane;thiohydroxylamine is sourced from PubChem (CID 144897257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).