bis(methylsulfanyl)methane;3-methylsulfanylpropanehydrazide

C7H18N2OS3 — CID 159875793

IUPACbis(methylsulfanyl)methane;3-methylsulfanylpropanehydrazide
SMILESCSCCC(=O)NN.CSCSC
InChIInChI=1S/C4H10N2OS.C3H8S2/c1-8-3-2-4(7)6-5;1-4-3-5-2/h2-3,5H2,1H3,(H,6,7);3H2,1-2H3
InChIKeyNSWVBAZGYAZDHG-UHFFFAOYSA-N
MW242.43 g/mol
LogP1.40
Rot. Bonds5

About bis(methylsulfanyl)methane;3-methylsulfanylpropanehydrazide

bis(methylsulfanyl)methane;3-methylsulfanylpropanehydrazide (PubChem CID 159875793) has the molecular formula C7H18N2OS3 and a molecular weight of 242.43 g/mol. Its IUPAC name is bis(methylsulfanyl)methane;3-methylsulfanylpropanehydrazide.

Molecular Properties

Compound Namebis(methylsulfanyl)methane;3-methylsulfanylpropanehydrazide
PubChem CID159875793
Molecular FormulaC7H18N2OS3
Molecular Weight242.43 g/mol
Exact Mass242.06
IUPAC Namebis(methylsulfanyl)methane;3-methylsulfanylpropanehydrazide
SMILESCSCCC(=O)NN.CSCSC
InChIInChI=1S/C4H10N2OS.C3H8S2/c1-8-3-2-4(7)6-5;1-4-3-5-2/h2-3,5H2,1H3,(H,6,7);3H2,1-2H3
InChIKeyNSWVBAZGYAZDHG-UHFFFAOYSA-N
XLogP1.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bis(methylsulfanyl)methane;3-methylsulfanylpropanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(methylsulfanyl)methane;3-methylsulfanylpropanehydrazide?
The IUPAC name of bis(methylsulfanyl)methane;3-methylsulfanylpropanehydrazide (CID 159875793) is bis(methylsulfanyl)methane;3-methylsulfanylpropanehydrazide.
What is the SMILES notation for bis(methylsulfanyl)methane;3-methylsulfanylpropanehydrazide?
The canonical SMILES for bis(methylsulfanyl)methane;3-methylsulfanylpropanehydrazide is CSCCC(=O)NN.CSCSC.
What is the InChIKey of bis(methylsulfanyl)methane;3-methylsulfanylpropanehydrazide?
The InChIKey is NSWVBAZGYAZDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS.C3H8S2/c1-8-3-2-4(7)6-5;1-4-3-5-2/h2-3,5H2,1H3,(H,6,7);3H2,1-2H3.
What are the key properties of bis(methylsulfanyl)methane;3-methylsulfanylpropanehydrazide?
bis(methylsulfanyl)methane;3-methylsulfanylpropanehydrazide has a molecular weight of 242.43 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methylsulfanyl)methane;3-methylsulfanylpropanehydrazide is sourced from PubChem (CID 159875793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).