(1,1-dioxothiolan-3-yl)azanium chloride

C4H10ClNO2S — CID 2770188

IUPAC(1,1-dioxothiolan-3-yl)azanium chloride
SMILES[Cl-].[NH3+]C1CCS(=O)(=O)C1
InChIInChI=1S/C4H9NO2S.ClH/c5-4-1-2-8(6,7)3-4;/h4H,1-3,5H2;1H
InChIKeyMGZQMSFXPSKBDY-UHFFFAOYSA-N
MW171.65 g/mol
LogP-4.58
Rot. Bonds

About (1,1-dioxothiolan-3-yl)azanium chloride

(1,1-dioxothiolan-3-yl)azanium chloride (PubChem CID 2770188) has the molecular formula C4H10ClNO2S and a molecular weight of 171.65 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)azanium chloride.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)azanium chloride
PubChem CID2770188
Molecular FormulaC4H10ClNO2S
Molecular Weight171.65 g/mol
Exact Mass171.01
IUPAC Name(1,1-dioxothiolan-3-yl)azanium chloride
SMILES[Cl-].[NH3+]C1CCS(=O)(=O)C1
InChIInChI=1S/C4H9NO2S.ClH/c5-4-1-2-8(6,7)3-4;/h4H,1-3,5H2;1H
InChIKeyMGZQMSFXPSKBDY-UHFFFAOYSA-N
XLogP-4.58
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.65
LogP ≤ 5-4.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)azanium chloride?
The IUPAC name of (1,1-dioxothiolan-3-yl)azanium chloride (CID 2770188) is (1,1-dioxothiolan-3-yl)azanium chloride.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)azanium chloride?
The canonical SMILES for (1,1-dioxothiolan-3-yl)azanium chloride is [Cl-].[NH3+]C1CCS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxothiolan-3-yl)azanium chloride?
The InChIKey is MGZQMSFXPSKBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S.ClH/c5-4-1-2-8(6,7)3-4;/h4H,1-3,5H2;1H.
What are the key properties of (1,1-dioxothiolan-3-yl)azanium chloride?
(1,1-dioxothiolan-3-yl)azanium chloride has a molecular weight of 171.65 g/mol, XLogP of -4.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)azanium chloride is sourced from PubChem (CID 2770188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).