CID 173007920

C10H22N2O4S2Se — CID 173007920

IUPAC—
SMILESCSCCC(N)C(=O)O.CSCCC(N)C(=O)O.[Se]
InChIInChI=1S/2C5H11NO2S.Se/c2*1-9-3-2-4(6)5(7)8;/h2*4H,2-3,6H2,1H3,(H,7,8);
InChIKeyVCWFEKHRTNGEIE-UHFFFAOYSA-N
MW377.39 g/mol
LogP-0.08
Rot. Bonds8

About CID 173007920

CID 173007920 (PubChem CID 173007920) has the molecular formula C10H22N2O4S2Se and a molecular weight of 377.39 g/mol.

Molecular Properties

Compound NameCID 173007920
PubChem CID173007920
Molecular FormulaC10H22N2O4S2Se
Molecular Weight377.39 g/mol
Exact Mass378.02
IUPAC Name—
SMILESCSCCC(N)C(=O)O.CSCCC(N)C(=O)O.[Se]
InChIInChI=1S/2C5H11NO2S.Se/c2*1-9-3-2-4(6)5(7)8;/h2*4H,2-3,6H2,1H3,(H,7,8);
InChIKeyVCWFEKHRTNGEIE-UHFFFAOYSA-N
XLogP-0.08
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
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(2S)-2-amino-4-methylsulfanylbutanoic acid
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2-amino-4-(113C)methylsulfanylbutanoic acid
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2-amino-4-methylsulfanylbutanoic acid
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CID 173070734
CID 173070734
(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;ethene
CID 88715356
(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
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2-amino-4-methylsulfanylbutanoic acid;sulfane;hydrate
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Frequently Asked Questions

What is the IUPAC name of CID 173007920?
The IUPAC name of CID 173007920 (CID 173007920) is not available.
What is the SMILES notation for CID 173007920?
The canonical SMILES for CID 173007920 is CSCCC(N)C(=O)O.CSCCC(N)C(=O)O.[Se].
What is the InChIKey of CID 173007920?
The InChIKey is VCWFEKHRTNGEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11NO2S.Se/c2*1-9-3-2-4(6)5(7)8;/h2*4H,2-3,6H2,1H3,(H,7,8);.
What are the key properties of CID 173007920?
CID 173007920 has a molecular weight of 377.39 g/mol, XLogP of -0.08, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173007920 is sourced from PubChem (CID 173007920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).