(2R)-2-amino-3-sulfanylpropanoic acid;thiophene

C7H11NO2S2 — CID 89422840

IUPAC(2R)-2-amino-3-sulfanylpropanoic acid;thiophene
SMILESN[C@@H](CS)C(=O)O.c1ccsc1
InChIInChI=1S/C4H4S.C3H7NO2S/c1-2-4-5-3-1;4-2(1-7)3(5)6/h1-4H;2,7H,1,4H2,(H,5,6)/t;2-/m.0/s1
InChIKeyASCDTKSEWAVONT-WNQIDUERSA-N
MW205.30 g/mol
LogP1.08
Rot. Bonds2

About (2R)-2-amino-3-sulfanylpropanoic acid;thiophene

(2R)-2-amino-3-sulfanylpropanoic acid;thiophene (PubChem CID 89422840) has the molecular formula C7H11NO2S2 and a molecular weight of 205.30 g/mol. Its IUPAC name is (2R)-2-amino-3-sulfanylpropanoic acid;thiophene.

Molecular Properties

Compound Name(2R)-2-amino-3-sulfanylpropanoic acid;thiophene
PubChem CID89422840
Molecular FormulaC7H11NO2S2
Molecular Weight205.30 g/mol
Exact Mass205.02
IUPAC Name(2R)-2-amino-3-sulfanylpropanoic acid;thiophene
SMILESN[C@@H](CS)C(=O)O.c1ccsc1
InChIInChI=1S/C4H4S.C3H7NO2S/c1-2-4-5-3-1;4-2(1-7)3(5)6/h1-4H;2,7H,1,4H2,(H,5,6)/t;2-/m.0/s1
InChIKeyASCDTKSEWAVONT-WNQIDUERSA-N
XLogP1.08
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-sulfanylpropanoic acid;thiophene?
The IUPAC name of (2R)-2-amino-3-sulfanylpropanoic acid;thiophene (CID 89422840) is (2R)-2-amino-3-sulfanylpropanoic acid;thiophene.
What is the SMILES notation for (2R)-2-amino-3-sulfanylpropanoic acid;thiophene?
The canonical SMILES for (2R)-2-amino-3-sulfanylpropanoic acid;thiophene is N[C@@H](CS)C(=O)O.c1ccsc1.
What is the InChIKey of (2R)-2-amino-3-sulfanylpropanoic acid;thiophene?
The InChIKey is ASCDTKSEWAVONT-WNQIDUERSA-N. The full InChI is InChI=1S/C4H4S.C3H7NO2S/c1-2-4-5-3-1;4-2(1-7)3(5)6/h1-4H;2,7H,1,4H2,(H,5,6)/t;2-/m.0/s1.
What are the key properties of (2R)-2-amino-3-sulfanylpropanoic acid;thiophene?
(2R)-2-amino-3-sulfanylpropanoic acid;thiophene has a molecular weight of 205.30 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-sulfanylpropanoic acid;thiophene is sourced from PubChem (CID 89422840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).