2-methylsulfonothioyloxyethanamine;hydrobromide

C3H10BrNO2S2 — CID 53443081

IUPAC2-methylsulfonothioyloxyethanamine;hydrobromide
SMILESBr.CS(=O)(=S)OCCN
InChIInChI=1S/C3H9NO2S2.BrH/c1-8(5,7)6-3-2-4;/h2-4H2,1H3;1H
InChIKeyNTFCRTYHNQYSCP-UHFFFAOYSA-N
MW236.16 g/mol
LogP-0.17
Rot. Bonds3

About 2-methylsulfonothioyloxyethanamine;hydrobromide

2-methylsulfonothioyloxyethanamine;hydrobromide (PubChem CID 53443081) has the molecular formula C3H10BrNO2S2 and a molecular weight of 236.16 g/mol. Its IUPAC name is 2-methylsulfonothioyloxyethanamine;hydrobromide.

Molecular Properties

Compound Name2-methylsulfonothioyloxyethanamine;hydrobromide
PubChem CID53443081
Molecular FormulaC3H10BrNO2S2
Molecular Weight236.16 g/mol
Exact Mass234.93
IUPAC Name2-methylsulfonothioyloxyethanamine;hydrobromide
SMILESBr.CS(=O)(=S)OCCN
InChIInChI=1S/C3H9NO2S2.BrH/c1-8(5,7)6-3-2-4;/h2-4H2,1H3;1H
InChIKeyNTFCRTYHNQYSCP-UHFFFAOYSA-N
XLogP-0.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonothioyloxyethanamine;hydrobromide?
The IUPAC name of 2-methylsulfonothioyloxyethanamine;hydrobromide (CID 53443081) is 2-methylsulfonothioyloxyethanamine;hydrobromide.
What is the SMILES notation for 2-methylsulfonothioyloxyethanamine;hydrobromide?
The canonical SMILES for 2-methylsulfonothioyloxyethanamine;hydrobromide is Br.CS(=O)(=S)OCCN.
What is the InChIKey of 2-methylsulfonothioyloxyethanamine;hydrobromide?
The InChIKey is NTFCRTYHNQYSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2S2.BrH/c1-8(5,7)6-3-2-4;/h2-4H2,1H3;1H.
What are the key properties of 2-methylsulfonothioyloxyethanamine;hydrobromide?
2-methylsulfonothioyloxyethanamine;hydrobromide has a molecular weight of 236.16 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonothioyloxyethanamine;hydrobromide is sourced from PubChem (CID 53443081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).