(1,1-dioxothian-4-yl)methylhydrazine;hydrochloride

C6H15ClN2O2S — CID 155819743

IUPAC(1,1-dioxothian-4-yl)methylhydrazine;hydrochloride
SMILESCl.NNCC1CCS(=O)(=O)CC1
InChIInChI=1S/C6H14N2O2S.ClH/c7-8-5-6-1-3-11(9,10)4-2-6;/h6,8H,1-5,7H2;1H
InChIKeyUMSRVUZQEFGASX-UHFFFAOYSA-N
MW214.72 g/mol
LogP-0.30
Rot. Bonds2

About (1,1-dioxothian-4-yl)methylhydrazine;hydrochloride

(1,1-dioxothian-4-yl)methylhydrazine;hydrochloride (PubChem CID 155819743) has the molecular formula C6H15ClN2O2S and a molecular weight of 214.72 g/mol. Its IUPAC name is (1,1-dioxothian-4-yl)methylhydrazine;hydrochloride.

Molecular Properties

Compound Name(1,1-dioxothian-4-yl)methylhydrazine;hydrochloride
PubChem CID155819743
Molecular FormulaC6H15ClN2O2S
Molecular Weight214.72 g/mol
Exact Mass214.05
IUPAC Name(1,1-dioxothian-4-yl)methylhydrazine;hydrochloride
SMILESCl.NNCC1CCS(=O)(=O)CC1
InChIInChI=1S/C6H14N2O2S.ClH/c7-8-5-6-1-3-11(9,10)4-2-6;/h6,8H,1-5,7H2;1H
InChIKeyUMSRVUZQEFGASX-UHFFFAOYSA-N
XLogP-0.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (1,1-dioxothian-4-yl)methylhydrazine;hydrochloride?
The IUPAC name of (1,1-dioxothian-4-yl)methylhydrazine;hydrochloride (CID 155819743) is (1,1-dioxothian-4-yl)methylhydrazine;hydrochloride.
What is the SMILES notation for (1,1-dioxothian-4-yl)methylhydrazine;hydrochloride?
The canonical SMILES for (1,1-dioxothian-4-yl)methylhydrazine;hydrochloride is Cl.NNCC1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxothian-4-yl)methylhydrazine;hydrochloride?
The InChIKey is UMSRVUZQEFGASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S.ClH/c7-8-5-6-1-3-11(9,10)4-2-6;/h6,8H,1-5,7H2;1H.
What are the key properties of (1,1-dioxothian-4-yl)methylhydrazine;hydrochloride?
(1,1-dioxothian-4-yl)methylhydrazine;hydrochloride has a molecular weight of 214.72 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-4-yl)methylhydrazine;hydrochloride is sourced from PubChem (CID 155819743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).