2-(cyanomethylsulfanyl)acetohydrazide

C4H7N3OS — CID 43348499

IUPAC2-(cyanomethylsulfanyl)acetohydrazide
SMILESN#CCSCC(=O)NN
InChIInChI=1S/C4H7N3OS/c5-1-2-9-3-4(8)7-6/h2-3,6H2,(H,7,8)
InChIKeyPGDHSPFZRAUFFJ-UHFFFAOYSA-N
MW145.19 g/mol
LogP-0.77
Rot. Bonds3

About 2-(cyanomethylsulfanyl)acetohydrazide

2-(cyanomethylsulfanyl)acetohydrazide (PubChem CID 43348499) has the molecular formula C4H7N3OS and a molecular weight of 145.19 g/mol. Its IUPAC name is 2-(cyanomethylsulfanyl)acetohydrazide.

Molecular Properties

Compound Name2-(cyanomethylsulfanyl)acetohydrazide
PubChem CID43348499
Molecular FormulaC4H7N3OS
Molecular Weight145.19 g/mol
Exact Mass145.03
IUPAC Name2-(cyanomethylsulfanyl)acetohydrazide
SMILESN#CCSCC(=O)NN
InChIInChI=1S/C4H7N3OS/c5-1-2-9-3-4(8)7-6/h2-3,6H2,(H,7,8)
InChIKeyPGDHSPFZRAUFFJ-UHFFFAOYSA-N
XLogP-0.77
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Thiobis(acetohydrazide)
CID 79527
2-(2,2,2-Trifluoroethylthio)acetohydrazide
CID 88541472
2-(Ethylsulfanyl)acetohydrazide
CID 1712813
2,2-Bis(ethylsulfanyl)acetohydrazide
CID 1482293
2-(2-Hydrazinyl-2-oxoethyl)sulfanylacetamide
CID 21196855
2-Propylsulfanylacetohydrazide
CID 23162553
2-Propan-2-ylsulfanylacetohydrazide
CID 43244802
S-(2-hydrazinyl-2-oxoethyl) ethanethioate
CID 88371853
N'-acetyl-2-methylsulfanylacetohydrazide
CID 89111938
Ethyl-(2-hydrazinyl-2-oxoethyl)-methylsulfanium
CID 4274287
2-[2-(2-Hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]acetohydrazide
CID 10705113
2-(Butylsulfanyl)acetohydrazide
CID 15567902

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethylsulfanyl)acetohydrazide?
The IUPAC name of 2-(cyanomethylsulfanyl)acetohydrazide (CID 43348499) is 2-(cyanomethylsulfanyl)acetohydrazide.
What is the SMILES notation for 2-(cyanomethylsulfanyl)acetohydrazide?
The canonical SMILES for 2-(cyanomethylsulfanyl)acetohydrazide is N#CCSCC(=O)NN.
What is the InChIKey of 2-(cyanomethylsulfanyl)acetohydrazide?
The InChIKey is PGDHSPFZRAUFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3OS/c5-1-2-9-3-4(8)7-6/h2-3,6H2,(H,7,8).
What are the key properties of 2-(cyanomethylsulfanyl)acetohydrazide?
2-(cyanomethylsulfanyl)acetohydrazide has a molecular weight of 145.19 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethylsulfanyl)acetohydrazide is sourced from PubChem (CID 43348499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).