1,4-dithiane-2-carbohydrazide

C5H10N2OS2 — CID 14961290

IUPAC1,4-dithiane-2-carbohydrazide
SMILESNNC(=O)C1CSCCS1
InChIInChI=1S/C5H10N2OS2/c6-7-5(8)4-3-9-1-2-10-4/h4H,1-3,6H2,(H,7,8)
InChIKeyYSFKOELRMTVMSA-UHFFFAOYSA-N
MW178.28 g/mol
LogP-0.18
Rot. Bonds1

About 1,4-dithiane-2-carbohydrazide

1,4-dithiane-2-carbohydrazide (PubChem CID 14961290) has the molecular formula C5H10N2OS2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1,4-dithiane-2-carbohydrazide.

Molecular Properties

Compound Name1,4-dithiane-2-carbohydrazide
PubChem CID14961290
Molecular FormulaC5H10N2OS2
Molecular Weight178.28 g/mol
Exact Mass178.02
IUPAC Name1,4-dithiane-2-carbohydrazide
SMILESNNC(=O)C1CSCCS1
InChIInChI=1S/C5H10N2OS2/c6-7-5(8)4-3-9-1-2-10-4/h4H,1-3,6H2,(H,7,8)
InChIKeyYSFKOELRMTVMSA-UHFFFAOYSA-N
XLogP-0.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 1,4-dithiane-2-carbohydrazide?
The IUPAC name of 1,4-dithiane-2-carbohydrazide (CID 14961290) is 1,4-dithiane-2-carbohydrazide.
What is the SMILES notation for 1,4-dithiane-2-carbohydrazide?
The canonical SMILES for 1,4-dithiane-2-carbohydrazide is NNC(=O)C1CSCCS1.
What is the InChIKey of 1,4-dithiane-2-carbohydrazide?
The InChIKey is YSFKOELRMTVMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS2/c6-7-5(8)4-3-9-1-2-10-4/h4H,1-3,6H2,(H,7,8).
What are the key properties of 1,4-dithiane-2-carbohydrazide?
1,4-dithiane-2-carbohydrazide has a molecular weight of 178.28 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dithiane-2-carbohydrazide is sourced from PubChem (CID 14961290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).