(3R)-3-amino-3-hydroxysulfanylpropane-1-thiol

C3H9NOS2 — CID 22801375

IUPAC(3R)-3-amino-3-hydroxysulfanylpropane-1-thiol
SMILESN[C@@H](CCS)SO
InChIInChI=1S/C3H9NOS2/c4-3(7-5)1-2-6/h3,5-6H,1-2,4H2/t3-/m1/s1
InChIKeyBNGLUPKXAPZEOQ-GSVOUGTGSA-N
MW139.24 g/mol
LogP0.80
Rot. Bonds3

About (3R)-3-amino-3-hydroxysulfanylpropane-1-thiol

(3R)-3-amino-3-hydroxysulfanylpropane-1-thiol (PubChem CID 22801375) has the molecular formula C3H9NOS2 and a molecular weight of 139.24 g/mol. Its IUPAC name is (3R)-3-amino-3-hydroxysulfanylpropane-1-thiol.

Molecular Properties

Compound Name(3R)-3-amino-3-hydroxysulfanylpropane-1-thiol
PubChem CID22801375
Molecular FormulaC3H9NOS2
Molecular Weight139.24 g/mol
Exact Mass139.01
IUPAC Name(3R)-3-amino-3-hydroxysulfanylpropane-1-thiol
SMILESN[C@@H](CCS)SO
InChIInChI=1S/C3H9NOS2/c4-3(7-5)1-2-6/h3,5-6H,1-2,4H2/t3-/m1/s1
InChIKeyBNGLUPKXAPZEOQ-GSVOUGTGSA-N
XLogP0.80
TPSA46.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-hydroxysulfanylpropane-1-thiol?
The IUPAC name of (3R)-3-amino-3-hydroxysulfanylpropane-1-thiol (CID 22801375) is (3R)-3-amino-3-hydroxysulfanylpropane-1-thiol.
What is the SMILES notation for (3R)-3-amino-3-hydroxysulfanylpropane-1-thiol?
The canonical SMILES for (3R)-3-amino-3-hydroxysulfanylpropane-1-thiol is N[C@@H](CCS)SO.
What is the InChIKey of (3R)-3-amino-3-hydroxysulfanylpropane-1-thiol?
The InChIKey is BNGLUPKXAPZEOQ-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H9NOS2/c4-3(7-5)1-2-6/h3,5-6H,1-2,4H2/t3-/m1/s1.
What are the key properties of (3R)-3-amino-3-hydroxysulfanylpropane-1-thiol?
(3R)-3-amino-3-hydroxysulfanylpropane-1-thiol has a molecular weight of 139.24 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-hydroxysulfanylpropane-1-thiol is sourced from PubChem (CID 22801375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).