1-chloro-1-(thian-4-yl)hydrazine

C5H11ClN2S — CID 175492755

IUPAC1-chloro-1-(thian-4-yl)hydrazine
SMILESNN(Cl)C1CCSCC1
InChIInChI=1S/C5H11ClN2S/c6-8(7)5-1-3-9-4-2-5/h5H,1-4,7H2
InChIKeyMNXXYPZLJLWTOR-UHFFFAOYSA-N
MW166.68 g/mol
LogP1.21
Rot. Bonds1

About 1-chloro-1-(thian-4-yl)hydrazine

1-chloro-1-(thian-4-yl)hydrazine (PubChem CID 175492755) has the molecular formula C5H11ClN2S and a molecular weight of 166.68 g/mol. Its IUPAC name is 1-chloro-1-(thian-4-yl)hydrazine.

Molecular Properties

Compound Name1-chloro-1-(thian-4-yl)hydrazine
PubChem CID175492755
Molecular FormulaC5H11ClN2S
Molecular Weight166.68 g/mol
Exact Mass166.03
IUPAC Name1-chloro-1-(thian-4-yl)hydrazine
SMILESNN(Cl)C1CCSCC1
InChIInChI=1S/C5H11ClN2S/c6-8(7)5-1-3-9-4-2-5/h5H,1-4,7H2
InChIKeyMNXXYPZLJLWTOR-UHFFFAOYSA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.68
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', '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-chloro-1-(thian-4-yl)hydrazine?
The IUPAC name of 1-chloro-1-(thian-4-yl)hydrazine (CID 175492755) is 1-chloro-1-(thian-4-yl)hydrazine.
What is the SMILES notation for 1-chloro-1-(thian-4-yl)hydrazine?
The canonical SMILES for 1-chloro-1-(thian-4-yl)hydrazine is NN(Cl)C1CCSCC1.
What is the InChIKey of 1-chloro-1-(thian-4-yl)hydrazine?
The InChIKey is MNXXYPZLJLWTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClN2S/c6-8(7)5-1-3-9-4-2-5/h5H,1-4,7H2.
What are the key properties of 1-chloro-1-(thian-4-yl)hydrazine?
1-chloro-1-(thian-4-yl)hydrazine has a molecular weight of 166.68 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(thian-4-yl)hydrazine is sourced from PubChem (CID 175492755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).