(1-amino-1-oxopropan-2-yl) ethanimidothioate

C5H10N2OS — CID 87476191

IUPAC(1-amino-1-oxopropan-2-yl) ethanimidothioate
SMILES[H]/N=C(\C)SC(C)C(N)=O
InChIInChI=1S/C5H10N2OS/c1-3(5(7)8)9-4(2)6/h3,6H,1-2H3,(H2,7,8)/b6-4+
InChIKeyUCXAZYVQIOGBCG-GQCTYLIASA-N
MW146.22 g/mol
LogP0.59
Rot. Bonds2

About (1-amino-1-oxopropan-2-yl) ethanimidothioate

(1-amino-1-oxopropan-2-yl) ethanimidothioate (PubChem CID 87476191) has the molecular formula C5H10N2OS and a molecular weight of 146.22 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) ethanimidothioate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) ethanimidothioate
PubChem CID87476191
Molecular FormulaC5H10N2OS
Molecular Weight146.22 g/mol
Exact Mass146.05
IUPAC Name(1-amino-1-oxopropan-2-yl) ethanimidothioate
SMILES[H]/N=C(\C)SC(C)C(N)=O
InChIInChI=1S/C5H10N2OS/c1-3(5(7)8)9-4(2)6/h3,6H,1-2H3,(H2,7,8)/b6-4+
InChIKeyUCXAZYVQIOGBCG-GQCTYLIASA-N
XLogP0.59
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-ylsulfanylpropanamide
CID 59881908
ethanimidamide;propan-2-one;vanadium
CID 159949516
ethanimidamide;propan-2-one;titanium
CID 158445220
(1-amino-1-oxobutan-2-yl) carbamimidothioate
CID 65211982
2-methylpropanamide;bis(propan-2-one)
CID 174404145
(1-amino-1-iminopropan-2-yl) carbamimidothioate;dihydrochloride
CID 131862948
1-hydroxyethyl carbamimidothioate
CID 19790650
2-(1-amino-1-oxopropan-2-yl)sulfanylpropanoic acid
CID 43082896
2-methylpropanimidamide;hydrochloride
CID 2782053
[1-(cyclopropylamino)-1-oxopropan-2-yl] carbamimidothioate
CID 65212338
N-(1-amino-1-iminopropan-2-yl)acetamide
CID 172748430
CID 169432063
CID 169432063

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) ethanimidothioate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) ethanimidothioate (CID 87476191) is (1-amino-1-oxopropan-2-yl) ethanimidothioate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) ethanimidothioate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) ethanimidothioate is [H]/N=C(\C)SC(C)C(N)=O.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) ethanimidothioate?
The InChIKey is UCXAZYVQIOGBCG-GQCTYLIASA-N. The full InChI is InChI=1S/C5H10N2OS/c1-3(5(7)8)9-4(2)6/h3,6H,1-2H3,(H2,7,8)/b6-4+.
What are the key properties of (1-amino-1-oxopropan-2-yl) ethanimidothioate?
(1-amino-1-oxopropan-2-yl) ethanimidothioate has a molecular weight of 146.22 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxopropan-2-yl) ethanimidothioate is sourced from PubChem (CID 87476191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).