1,2-bis(1,1-dioxothiolan-3-yl)hydrazine

C8H16N2O4S2 — CID 3835114

IUPAC1,2-bis(1,1-dioxothiolan-3-yl)hydrazine
SMILESO=S1(=O)CCC(NNC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C8H16N2O4S2/c11-15(12)3-1-7(5-15)9-10-8-2-4-16(13,14)6-8/h7-10H,1-6H2
InChIKeyLABKHPMPKSIBMF-UHFFFAOYSA-N
MW268.36 g/mol
LogP-1.55
Rot. Bonds3

About 1,2-bis(1,1-dioxothiolan-3-yl)hydrazine

1,2-bis(1,1-dioxothiolan-3-yl)hydrazine (PubChem CID 3835114) has the molecular formula C8H16N2O4S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1,2-bis(1,1-dioxothiolan-3-yl)hydrazine.

Molecular Properties

Compound Name1,2-bis(1,1-dioxothiolan-3-yl)hydrazine
PubChem CID3835114
Molecular FormulaC8H16N2O4S2
Molecular Weight268.36 g/mol
Exact Mass268.06
IUPAC Name1,2-bis(1,1-dioxothiolan-3-yl)hydrazine
SMILESO=S1(=O)CCC(NNC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C8H16N2O4S2/c11-15(12)3-1-7(5-15)9-10-8-2-4-16(13,14)6-8/h7-10H,1-6H2
InChIKeyLABKHPMPKSIBMF-UHFFFAOYSA-N
XLogP-1.55
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(1,1-dioxothiolan-3-yl)hydrazine?
The IUPAC name of 1,2-bis(1,1-dioxothiolan-3-yl)hydrazine (CID 3835114) is 1,2-bis(1,1-dioxothiolan-3-yl)hydrazine.
What is the SMILES notation for 1,2-bis(1,1-dioxothiolan-3-yl)hydrazine?
The canonical SMILES for 1,2-bis(1,1-dioxothiolan-3-yl)hydrazine is O=S1(=O)CCC(NNC2CCS(=O)(=O)C2)C1.
What is the InChIKey of 1,2-bis(1,1-dioxothiolan-3-yl)hydrazine?
The InChIKey is LABKHPMPKSIBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S2/c11-15(12)3-1-7(5-15)9-10-8-2-4-16(13,14)6-8/h7-10H,1-6H2.
What are the key properties of 1,2-bis(1,1-dioxothiolan-3-yl)hydrazine?
1,2-bis(1,1-dioxothiolan-3-yl)hydrazine has a molecular weight of 268.36 g/mol, XLogP of -1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(1,1-dioxothiolan-3-yl)hydrazine is sourced from PubChem (CID 3835114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).