propan-2-yl N-hydroxy-2-hydroxyiminopropanimidothioate

C6H12N2O2S — CID 154379756

IUPACpropan-2-yl N-hydroxy-2-hydroxyiminopropanimidothioate
SMILESCC(=NO)C(=NO)SC(C)C
InChIInChI=1S/C6H12N2O2S/c1-4(2)11-6(8-10)5(3)7-9/h4,9-10H,1-3H3
InChIKeySARZTZKPVBNGQE-UHFFFAOYSA-N
MW176.24 g/mol
LogP1.77
Rot. Bonds2

About propan-2-yl N-hydroxy-2-hydroxyiminopropanimidothioate

propan-2-yl N-hydroxy-2-hydroxyiminopropanimidothioate (PubChem CID 154379756) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is propan-2-yl N-hydroxy-2-hydroxyiminopropanimidothioate.

Molecular Properties

Compound Namepropan-2-yl N-hydroxy-2-hydroxyiminopropanimidothioate
PubChem CID154379756
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC Namepropan-2-yl N-hydroxy-2-hydroxyiminopropanimidothioate
SMILESCC(=NO)C(=NO)SC(C)C
InChIInChI=1S/C6H12N2O2S/c1-4(2)11-6(8-10)5(3)7-9/h4,9-10H,1-3H3
InChIKeySARZTZKPVBNGQE-UHFFFAOYSA-N
XLogP1.77
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze propan-2-yl N-hydroxy-2-hydroxyiminopropanimidothioate 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

2-Butanone, 3-(methylthio)-, oxime
CID 2794915
3-(Methylsulfanyl)butan-2-one oxime
CID 5712107
3-(Methylthio)butan-2-one oxime
CID 5745504
(NZ)-N-(1-methylsulfanylbutan-2-ylidene)hydroxylamine
CID 6365421
1-(Methylthio)butan-2-one oxime
CID 6432885
Methyl(2-methylthioethyl)ketone oxime
CID 85711716
4,7-Dithiadecane-2,9-dione dioxime
CID 129817290
(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-[(5Z)-5-hydroxyiminothian-3-ylidene]hydroxylamine
CID 135052201
2-Butanone, 1-(methylthio)-, oxime
CID 3016057
(NE)-N-(4-ethylsulfanylbutan-2-ylidene)hydroxylamine
CID 22562175

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-hydroxy-2-hydroxyiminopropanimidothioate?
The IUPAC name of propan-2-yl N-hydroxy-2-hydroxyiminopropanimidothioate (CID 154379756) is propan-2-yl N-hydroxy-2-hydroxyiminopropanimidothioate.
What is the SMILES notation for propan-2-yl N-hydroxy-2-hydroxyiminopropanimidothioate?
The canonical SMILES for propan-2-yl N-hydroxy-2-hydroxyiminopropanimidothioate is CC(=NO)C(=NO)SC(C)C.
What is the InChIKey of propan-2-yl N-hydroxy-2-hydroxyiminopropanimidothioate?
The InChIKey is SARZTZKPVBNGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c1-4(2)11-6(8-10)5(3)7-9/h4,9-10H,1-3H3.
What are the key properties of propan-2-yl N-hydroxy-2-hydroxyiminopropanimidothioate?
propan-2-yl N-hydroxy-2-hydroxyiminopropanimidothioate has a molecular weight of 176.24 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-hydroxy-2-hydroxyiminopropanimidothioate is sourced from PubChem (CID 154379756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).