(3R,4S)-4-aminothiolan-3-ol

C4H9NOS — CID 1361795

IUPAC(3R,4S)-4-aminothiolan-3-ol
SMILESN[C@@H]1CSC[C@@H]1O
InChIInChI=1S/C4H9NOS/c5-3-1-7-2-4(3)6/h3-4,6H,1-2,5H2/t3-,4+/m1/s1
InChIKeyLNYNSKJTNYTLNL-DMTCNVIQSA-N
MW119.19 g/mol
LogP-0.58
Rot. Bonds

About (3R,4S)-4-aminothiolan-3-ol

(3R,4S)-4-aminothiolan-3-ol (PubChem CID 1361795) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is (3R,4S)-4-aminothiolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-aminothiolan-3-ol
PubChem CID1361795
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name(3R,4S)-4-aminothiolan-3-ol
SMILESN[C@@H]1CSC[C@@H]1O
InChIInChI=1S/C4H9NOS/c5-3-1-7-2-4(3)6/h3-4,6H,1-2,5H2/t3-,4+/m1/s1
InChIKeyLNYNSKJTNYTLNL-DMTCNVIQSA-N
XLogP-0.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-aminothiolan-3-ol?
The IUPAC name of (3R,4S)-4-aminothiolan-3-ol (CID 1361795) is (3R,4S)-4-aminothiolan-3-ol.
What is the SMILES notation for (3R,4S)-4-aminothiolan-3-ol?
The canonical SMILES for (3R,4S)-4-aminothiolan-3-ol is N[C@@H]1CSC[C@@H]1O.
What is the InChIKey of (3R,4S)-4-aminothiolan-3-ol?
The InChIKey is LNYNSKJTNYTLNL-DMTCNVIQSA-N. The full InChI is InChI=1S/C4H9NOS/c5-3-1-7-2-4(3)6/h3-4,6H,1-2,5H2/t3-,4+/m1/s1.
What are the key properties of (3R,4S)-4-aminothiolan-3-ol?
(3R,4S)-4-aminothiolan-3-ol has a molecular weight of 119.19 g/mol, XLogP of -0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-aminothiolan-3-ol is sourced from PubChem (CID 1361795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).