CID 172908207

C10H20CuN2O4S2-2 — CID 172908207

IUPAC—
SMILESCSCC[C@H](N)C(=O)[O-].CSCC[C@H](N)C(=O)[O-].[Cu]
InChIInChI=1S/2C5H11NO2S.Cu/c2*1-9-3-2-4(6)5(7)8;/h2*4H,2-3,6H2,1H3,(H,7,8);/p-2/t2*4-;/m00./s1
InChIKeyPBRVAIFGUWYHBF-SCGRZTRASA-L
MW359.96 g/mol
LogP-2.37
Rot. Bonds8

About CID 172908207

CID 172908207 (PubChem CID 172908207) has the molecular formula C10H20CuN2O4S2-2 and a molecular weight of 359.96 g/mol.

Molecular Properties

Compound NameCID 172908207
PubChem CID172908207
Molecular FormulaC10H20CuN2O4S2-2
Molecular Weight359.96 g/mol
Exact Mass359.02
IUPAC Name—
SMILESCSCC[C@H](N)C(=O)[O-].CSCC[C@H](N)C(=O)[O-].[Cu]
InChIInChI=1S/2C5H11NO2S.Cu/c2*1-9-3-2-4(6)5(7)8;/h2*4H,2-3,6H2,1H3,(H,7,8);/p-2/t2*4-;/m00./s1
InChIKeyPBRVAIFGUWYHBF-SCGRZTRASA-L
XLogP-2.37
TPSA132.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.96
LogP ≤ 5-2.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 172908207?
The IUPAC name of CID 172908207 (CID 172908207) is not available.
What is the SMILES notation for CID 172908207?
The canonical SMILES for CID 172908207 is CSCC[C@H](N)C(=O)[O-].CSCC[C@H](N)C(=O)[O-].[Cu].
What is the InChIKey of CID 172908207?
The InChIKey is PBRVAIFGUWYHBF-SCGRZTRASA-L. The full InChI is InChI=1S/2C5H11NO2S.Cu/c2*1-9-3-2-4(6)5(7)8;/h2*4H,2-3,6H2,1H3,(H,7,8);/p-2/t2*4-;/m00./s1.
What are the key properties of CID 172908207?
CID 172908207 has a molecular weight of 359.96 g/mol, XLogP of -2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172908207 is sourced from PubChem (CID 172908207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).