ethane;(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine

C9H23NOS2 — CID 163384575

IUPACethane;(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine
SMILESCC.CC.CCSC/C(CS)=N\O
InChIInChI=1S/C5H11NOS2.2C2H6/c1-2-9-4-5(3-8)6-7;2*1-2/h7-8H,2-4H2,1H3;2*1-2H3/b6-5-;;
InChIKeyVYXUOSIJODYTMS-XNOMRPDFSA-N
MW225.42 g/mol
LogP3.55
Rot. Bonds4

About ethane;(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine

ethane;(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine (PubChem CID 163384575) has the molecular formula C9H23NOS2 and a molecular weight of 225.42 g/mol. Its IUPAC name is ethane;(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Nameethane;(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine
PubChem CID163384575
Molecular FormulaC9H23NOS2
Molecular Weight225.42 g/mol
Exact Mass225.12
IUPAC Nameethane;(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine
SMILESCC.CC.CCSC/C(CS)=N\O
InChIInChI=1S/C5H11NOS2.2C2H6/c1-2-9-4-5(3-8)6-7;2*1-2/h7-8H,2-4H2,1H3;2*1-2H3/b6-5-;;
InChIKeyVYXUOSIJODYTMS-XNOMRPDFSA-N
XLogP3.55
TPSA32.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze ethane;(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine 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

4,7-Dithiadecane-2,9-dione dioxime
CID 129817290
(NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine
CID 135035421
(NZ)-N-(1-propylsulfanylpropan-2-ylidene)hydroxylamine
CID 135035494
(NE)-N-[1-[3-[(2Z)-2-hydroxyiminopropyl]sulfanylpropylsulfanyl]propan-2-ylidene]hydroxylamine
CID 135045168
(NE)-N-(4-ethylsulfanylbutan-2-ylidene)hydroxylamine
CID 22562175
4-Ethylsulfanyl-butan-2-one oxime
CID 73991919
N-(1-propan-2-ylsulfanylpropan-2-ylidene)hydroxylamine
CID 85973967
(NE)-N-(1-methylsulfanylpropan-2-ylidene)hydroxylamine
CID 87381989
(NE)-N-(1-propan-2-ylsulfanylpropan-2-ylidene)hydroxylamine
CID 88791284
[(Z)-(1-methylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite
CID 118192238
[1,3-Bis(ethylsulfanyl)propan-2-ylideneamino] hypoiodite
CID 121327523
[(E)-(1-ethylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite
CID 121327536

Frequently Asked Questions

What is the IUPAC name of ethane;(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine?
The IUPAC name of ethane;(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine (CID 163384575) is ethane;(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine.
What is the SMILES notation for ethane;(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine?
The canonical SMILES for ethane;(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine is CC.CC.CCSC/C(CS)=N\O.
What is the InChIKey of ethane;(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine?
The InChIKey is VYXUOSIJODYTMS-XNOMRPDFSA-N. The full InChI is InChI=1S/C5H11NOS2.2C2H6/c1-2-9-4-5(3-8)6-7;2*1-2/h7-8H,2-4H2,1H3;2*1-2H3/b6-5-;;.
What are the key properties of ethane;(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine?
ethane;(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine has a molecular weight of 225.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine is sourced from PubChem (CID 163384575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).