3-hydroxysulfinothioylpropan-1-amine;hydrobromide

C3H10BrNOS2 — CID 141420693

IUPAC3-hydroxysulfinothioylpropan-1-amine;hydrobromide
SMILESBr.NCCCS(O)=S
InChIInChI=1S/C3H9NOS2.BrH/c4-2-1-3-7(5)6;/h1-4H2,(H,5,6);1H
InChIKeyZGGJHCHWKDWZGM-UHFFFAOYSA-N
MW220.16 g/mol
LogP0.47
Rot. Bonds3

About 3-hydroxysulfinothioylpropan-1-amine;hydrobromide

3-hydroxysulfinothioylpropan-1-amine;hydrobromide (PubChem CID 141420693) has the molecular formula C3H10BrNOS2 and a molecular weight of 220.16 g/mol. Its IUPAC name is 3-hydroxysulfinothioylpropan-1-amine;hydrobromide.

Molecular Properties

Compound Name3-hydroxysulfinothioylpropan-1-amine;hydrobromide
PubChem CID141420693
Molecular FormulaC3H10BrNOS2
Molecular Weight220.16 g/mol
Exact Mass218.94
IUPAC Name3-hydroxysulfinothioylpropan-1-amine;hydrobromide
SMILESBr.NCCCS(O)=S
InChIInChI=1S/C3H9NOS2.BrH/c4-2-1-3-7(5)6;/h1-4H2,(H,5,6);1H
InChIKeyZGGJHCHWKDWZGM-UHFFFAOYSA-N
XLogP0.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxysulfinothioylpropan-1-amine;hydrobromide?
The IUPAC name of 3-hydroxysulfinothioylpropan-1-amine;hydrobromide (CID 141420693) is 3-hydroxysulfinothioylpropan-1-amine;hydrobromide.
What is the SMILES notation for 3-hydroxysulfinothioylpropan-1-amine;hydrobromide?
The canonical SMILES for 3-hydroxysulfinothioylpropan-1-amine;hydrobromide is Br.NCCCS(O)=S.
What is the InChIKey of 3-hydroxysulfinothioylpropan-1-amine;hydrobromide?
The InChIKey is ZGGJHCHWKDWZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NOS2.BrH/c4-2-1-3-7(5)6;/h1-4H2,(H,5,6);1H.
What are the key properties of 3-hydroxysulfinothioylpropan-1-amine;hydrobromide?
3-hydroxysulfinothioylpropan-1-amine;hydrobromide has a molecular weight of 220.16 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxysulfinothioylpropan-1-amine;hydrobromide is sourced from PubChem (CID 141420693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).