(2R)-2-amino-2-hydroxysulfanylethanethiol

C2H7NOS2 — CID 22801373

IUPAC(2R)-2-amino-2-hydroxysulfanylethanethiol
SMILESN[C@@H](CS)SO
InChIInChI=1S/C2H7NOS2/c3-2(1-5)6-4/h2,4-5H,1,3H2/t2-/m1/s1
InChIKeyLTJXEGHFRUVCQG-UWTATZPHSA-N
MW125.22 g/mol
LogP0.41
Rot. Bonds2

About (2R)-2-amino-2-hydroxysulfanylethanethiol

(2R)-2-amino-2-hydroxysulfanylethanethiol (PubChem CID 22801373) has the molecular formula C2H7NOS2 and a molecular weight of 125.22 g/mol. Its IUPAC name is (2R)-2-amino-2-hydroxysulfanylethanethiol.

Molecular Properties

Compound Name(2R)-2-amino-2-hydroxysulfanylethanethiol
PubChem CID22801373
Molecular FormulaC2H7NOS2
Molecular Weight125.22 g/mol
Exact Mass125.00
IUPAC Name(2R)-2-amino-2-hydroxysulfanylethanethiol
SMILESN[C@@H](CS)SO
InChIInChI=1S/C2H7NOS2/c3-2(1-5)6-4/h2,4-5H,1,3H2/t2-/m1/s1
InChIKeyLTJXEGHFRUVCQG-UWTATZPHSA-N
XLogP0.41
TPSA46.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 50.41
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 (2R)-2-amino-2-hydroxysulfanylethanethiol?
The IUPAC name of (2R)-2-amino-2-hydroxysulfanylethanethiol (CID 22801373) is (2R)-2-amino-2-hydroxysulfanylethanethiol.
What is the SMILES notation for (2R)-2-amino-2-hydroxysulfanylethanethiol?
The canonical SMILES for (2R)-2-amino-2-hydroxysulfanylethanethiol is N[C@@H](CS)SO.
What is the InChIKey of (2R)-2-amino-2-hydroxysulfanylethanethiol?
The InChIKey is LTJXEGHFRUVCQG-UWTATZPHSA-N. The full InChI is InChI=1S/C2H7NOS2/c3-2(1-5)6-4/h2,4-5H,1,3H2/t2-/m1/s1.
What are the key properties of (2R)-2-amino-2-hydroxysulfanylethanethiol?
(2R)-2-amino-2-hydroxysulfanylethanethiol has a molecular weight of 125.22 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-hydroxysulfanylethanethiol is sourced from PubChem (CID 22801373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).