[4-(phenylsulfanylmethyl)thiadiazol-5-yl]hydrazine

C9H10N4S2 — CID 62245652

IUPAC[4-(phenylsulfanylmethyl)thiadiazol-5-yl]hydrazine
SMILESNNc1snnc1CSc1ccccc1
InChIInChI=1S/C9H10N4S2/c10-11-9-8(12-13-15-9)6-14-7-4-2-1-3-5-7/h1-5,11H,6,10H2
InChIKeyKXYARTFQYHVSRO-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.12
Rot. Bonds4

About [4-(phenylsulfanylmethyl)thiadiazol-5-yl]hydrazine

[4-(phenylsulfanylmethyl)thiadiazol-5-yl]hydrazine (PubChem CID 62245652) has the molecular formula C9H10N4S2 and a molecular weight of 238.34 g/mol. Its IUPAC name is [4-(phenylsulfanylmethyl)thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-(phenylsulfanylmethyl)thiadiazol-5-yl]hydrazine
PubChem CID62245652
Molecular FormulaC9H10N4S2
Molecular Weight238.34 g/mol
Exact Mass238.03
IUPAC Name[4-(phenylsulfanylmethyl)thiadiazol-5-yl]hydrazine
SMILESNNc1snnc1CSc1ccccc1
InChIInChI=1S/C9H10N4S2/c10-11-9-8(12-13-15-9)6-14-7-4-2-1-3-5-7/h1-5,11H,6,10H2
InChIKeyKXYARTFQYHVSRO-UHFFFAOYSA-N
XLogP2.12
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 [4-(phenylsulfanylmethyl)thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-(phenylsulfanylmethyl)thiadiazol-5-yl]hydrazine (CID 62245652) is [4-(phenylsulfanylmethyl)thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-(phenylsulfanylmethyl)thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-(phenylsulfanylmethyl)thiadiazol-5-yl]hydrazine is NNc1snnc1CSc1ccccc1.
What is the InChIKey of [4-(phenylsulfanylmethyl)thiadiazol-5-yl]hydrazine?
The InChIKey is KXYARTFQYHVSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S2/c10-11-9-8(12-13-15-9)6-14-7-4-2-1-3-5-7/h1-5,11H,6,10H2.
What are the key properties of [4-(phenylsulfanylmethyl)thiadiazol-5-yl]hydrazine?
[4-(phenylsulfanylmethyl)thiadiazol-5-yl]hydrazine has a molecular weight of 238.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylsulfanylmethyl)thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 62245652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).