2-[N-hydroxy-C-(hydroxyiminomethyl)carbonimidoyl]sulfanylethyl N-hydroxy-2-hydroxyiminoethanimidothioate

C6H10N4O4S2 — CID 135487958

IUPAC2-[N-hydroxy-C-(hydroxyiminomethyl)carbonimidoyl]sulfanylethyl N-hydroxy-2-hydroxyiminoethanimidothioate
SMILESON=CC(=NO)SCCSC(C=NO)=NO
InChIInChI=1S/C6H10N4O4S2/c11-7-3-5(9-13)15-1-2-16-6(10-14)4-8-12/h3-4,11-14H,1-2H2
InChIKeyVSORVPDDIXGDTR-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.95
Rot. Bonds5

About 2-[N-hydroxy-C-(hydroxyiminomethyl)carbonimidoyl]sulfanylethyl N-hydroxy-2-hydroxyiminoethanimidothioate

2-[N-hydroxy-C-(hydroxyiminomethyl)carbonimidoyl]sulfanylethyl N-hydroxy-2-hydroxyiminoethanimidothioate (PubChem CID 135487958) has the molecular formula C6H10N4O4S2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[N-hydroxy-C-(hydroxyiminomethyl)carbonimidoyl]sulfanylethyl N-hydroxy-2-hydroxyiminoethanimidothioate.

Molecular Properties

Compound Name2-[N-hydroxy-C-(hydroxyiminomethyl)carbonimidoyl]sulfanylethyl N-hydroxy-2-hydroxyiminoethanimidothioate
PubChem CID135487958
Molecular FormulaC6H10N4O4S2
Molecular Weight266.30 g/mol
Exact Mass266.01
IUPAC Name2-[N-hydroxy-C-(hydroxyiminomethyl)carbonimidoyl]sulfanylethyl N-hydroxy-2-hydroxyiminoethanimidothioate
SMILESON=CC(=NO)SCCSC(C=NO)=NO
InChIInChI=1S/C6H10N4O4S2/c11-7-3-5(9-13)15-1-2-16-6(10-14)4-8-12/h3-4,11-14H,1-2H2
InChIKeyVSORVPDDIXGDTR-UHFFFAOYSA-N
XLogP0.95
TPSA130.36 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[N-hydroxy-C-(hydroxyiminomethyl)carbonimidoyl]sulfanylethyl N-hydroxy-2-hydroxyiminoethanimidothioate?
The IUPAC name of 2-[N-hydroxy-C-(hydroxyiminomethyl)carbonimidoyl]sulfanylethyl N-hydroxy-2-hydroxyiminoethanimidothioate (CID 135487958) is 2-[N-hydroxy-C-(hydroxyiminomethyl)carbonimidoyl]sulfanylethyl N-hydroxy-2-hydroxyiminoethanimidothioate.
What is the SMILES notation for 2-[N-hydroxy-C-(hydroxyiminomethyl)carbonimidoyl]sulfanylethyl N-hydroxy-2-hydroxyiminoethanimidothioate?
The canonical SMILES for 2-[N-hydroxy-C-(hydroxyiminomethyl)carbonimidoyl]sulfanylethyl N-hydroxy-2-hydroxyiminoethanimidothioate is ON=CC(=NO)SCCSC(C=NO)=NO.
What is the InChIKey of 2-[N-hydroxy-C-(hydroxyiminomethyl)carbonimidoyl]sulfanylethyl N-hydroxy-2-hydroxyiminoethanimidothioate?
The InChIKey is VSORVPDDIXGDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O4S2/c11-7-3-5(9-13)15-1-2-16-6(10-14)4-8-12/h3-4,11-14H,1-2H2.
What are the key properties of 2-[N-hydroxy-C-(hydroxyiminomethyl)carbonimidoyl]sulfanylethyl N-hydroxy-2-hydroxyiminoethanimidothioate?
2-[N-hydroxy-C-(hydroxyiminomethyl)carbonimidoyl]sulfanylethyl N-hydroxy-2-hydroxyiminoethanimidothioate has a molecular weight of 266.30 g/mol, XLogP of 0.95, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-hydroxy-C-(hydroxyiminomethyl)carbonimidoyl]sulfanylethyl N-hydroxy-2-hydroxyiminoethanimidothioate is sourced from PubChem (CID 135487958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).