CID 173070734

C6H15NO2SSe2 — CID 173070734

IUPAC—
SMILESCSCC[C@H](N)C(=O)O.C[SeH].[Se]
InChIInChI=1S/C5H11NO2S.CH4Se.Se/c1-9-3-2-4(6)5(7)8;1-2;/h4H,2-3,6H2,1H3,(H,7,8);2H,1H3;/t4-;;/m0../s1
InChIKeyXHIOYADUKJZQBU-FHNDMYTFSA-N
MW323.18 g/mol
LogP-0.29
Rot. Bonds4

About CID 173070734

CID 173070734 (PubChem CID 173070734) has the molecular formula C6H15NO2SSe2 and a molecular weight of 323.18 g/mol.

Molecular Properties

Compound NameCID 173070734
PubChem CID173070734
Molecular FormulaC6H15NO2SSe2
Molecular Weight323.18 g/mol
Exact Mass324.92
IUPAC Name—
SMILESCSCC[C@H](N)C(=O)O.C[SeH].[Se]
InChIInChI=1S/C5H11NO2S.CH4Se.Se/c1-9-3-2-4(6)5(7)8;1-2;/h4H,2-3,6H2,1H3,(H,7,8);2H,1H3;/t4-;;/m0../s1
InChIKeyXHIOYADUKJZQBU-FHNDMYTFSA-N
XLogP-0.29
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 173007920
CID 173007920
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
2-amino-4-methylsulfanylbutanoic acid
CID 876
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409
bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc
CID 132989209
(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
CID 161434008
2-amino-4-methylsulfanylbutanoic acid;sulfane;hydrate
CID 174389151
(2S)-2-amino-4-methylsulfanylbutanoic acid;ethene
CID 88715356

Frequently Asked Questions

What is the IUPAC name of CID 173070734?
The IUPAC name of CID 173070734 (CID 173070734) is not available.
What is the SMILES notation for CID 173070734?
The canonical SMILES for CID 173070734 is CSCC[C@H](N)C(=O)O.C[SeH].[Se].
What is the InChIKey of CID 173070734?
The InChIKey is XHIOYADUKJZQBU-FHNDMYTFSA-N. The full InChI is InChI=1S/C5H11NO2S.CH4Se.Se/c1-9-3-2-4(6)5(7)8;1-2;/h4H,2-3,6H2,1H3,(H,7,8);2H,1H3;/t4-;;/m0../s1.
What are the key properties of CID 173070734?
CID 173070734 has a molecular weight of 323.18 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173070734 is sourced from PubChem (CID 173070734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).