2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-ylhydrazine

C7H9N3S2 — CID 10726677

IUPAC2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-ylhydrazine
SMILESNNC1=NCCSc2sccc21
InChIInChI=1S/C7H9N3S2/c8-10-6-5-1-3-11-7(5)12-4-2-9-6/h1,3H,2,4,8H2,(H,9,10)
InChIKeyOLDCPDSFWHRPKK-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.06
Rot. Bonds

About 2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-ylhydrazine

2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-ylhydrazine (PubChem CID 10726677) has the molecular formula C7H9N3S2 and a molecular weight of 199.30 g/mol. Its IUPAC name is 2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-ylhydrazine.

Molecular Properties

Compound Name2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-ylhydrazine
PubChem CID10726677
Molecular FormulaC7H9N3S2
Molecular Weight199.30 g/mol
Exact Mass199.02
IUPAC Name2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-ylhydrazine
SMILESNNC1=NCCSc2sccc21
InChIInChI=1S/C7H9N3S2/c8-10-6-5-1-3-11-7(5)12-4-2-9-6/h1,3H,2,4,8H2,(H,9,10)
InChIKeyOLDCPDSFWHRPKK-UHFFFAOYSA-N
XLogP1.06
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-ylhydrazine?
The IUPAC name of 2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-ylhydrazine (CID 10726677) is 2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-ylhydrazine.
What is the SMILES notation for 2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-ylhydrazine?
The canonical SMILES for 2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-ylhydrazine is NNC1=NCCSc2sccc21.
What is the InChIKey of 2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-ylhydrazine?
The InChIKey is OLDCPDSFWHRPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S2/c8-10-6-5-1-3-11-7(5)12-4-2-9-6/h1,3H,2,4,8H2,(H,9,10).
What are the key properties of 2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-ylhydrazine?
2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-ylhydrazine has a molecular weight of 199.30 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-ylhydrazine is sourced from PubChem (CID 10726677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).