4-aminothiolan-3-ol;hydrobromide

C4H10BrNOS — CID 44667856

IUPAC4-aminothiolan-3-ol;hydrobromide
SMILESBr.NC1CSCC1O
InChIInChI=1S/C4H9NOS.BrH/c5-3-1-7-2-4(3)6;/h3-4,6H,1-2,5H2;1H
InChIKeySACQVQVPKSITHY-UHFFFAOYSA-N
MW200.10 g/mol
LogP-0.00
Rot. Bonds

About 4-aminothiolan-3-ol;hydrobromide

4-aminothiolan-3-ol;hydrobromide (PubChem CID 44667856) has the molecular formula C4H10BrNOS and a molecular weight of 200.10 g/mol. Its IUPAC name is 4-aminothiolan-3-ol;hydrobromide.

Molecular Properties

Compound Name4-aminothiolan-3-ol;hydrobromide
PubChem CID44667856
Molecular FormulaC4H10BrNOS
Molecular Weight200.10 g/mol
Exact Mass198.97
IUPAC Name4-aminothiolan-3-ol;hydrobromide
SMILESBr.NC1CSCC1O
InChIInChI=1S/C4H9NOS.BrH/c5-3-1-7-2-4(3)6;/h3-4,6H,1-2,5H2;1H
InChIKeySACQVQVPKSITHY-UHFFFAOYSA-N
XLogP-0.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.10
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-aminothiolan-3-ol;hydrobromide?
The IUPAC name of 4-aminothiolan-3-ol;hydrobromide (CID 44667856) is 4-aminothiolan-3-ol;hydrobromide.
What is the SMILES notation for 4-aminothiolan-3-ol;hydrobromide?
The canonical SMILES for 4-aminothiolan-3-ol;hydrobromide is Br.NC1CSCC1O.
What is the InChIKey of 4-aminothiolan-3-ol;hydrobromide?
The InChIKey is SACQVQVPKSITHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS.BrH/c5-3-1-7-2-4(3)6;/h3-4,6H,1-2,5H2;1H.
What are the key properties of 4-aminothiolan-3-ol;hydrobromide?
4-aminothiolan-3-ol;hydrobromide has a molecular weight of 200.10 g/mol, XLogP of -0.00, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminothiolan-3-ol;hydrobromide is sourced from PubChem (CID 44667856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).