bis(2-amino-4-methylsulfanylbutanoic acid);diphenyltin

C22H32N2O4S2Sn — CID 10531078

IUPACbis(2-amino-4-methylsulfanylbutanoic acid);diphenyltin
SMILESCSCCC(N)C(=O)O.CSCCC(N)C(=O)O.c1ccc([Sn]c2ccccc2)cc1
InChIInChI=1S/2C6H5.2C5H11NO2S.Sn/c2*1-2-4-6-5-3-1;2*1-9-3-2-4(6)5(7)8;/h2*1-5H;2*4H,2-3,6H2,1H3,(H,7,8);
InChIKeyLFFAVNWWWAUKML-UHFFFAOYSA-N
MW571.35 g/mol
LogP1.64
Rot. Bonds10

About bis(2-amino-4-methylsulfanylbutanoic acid);diphenyltin

bis(2-amino-4-methylsulfanylbutanoic acid);diphenyltin (PubChem CID 10531078) has the molecular formula C22H32N2O4S2Sn and a molecular weight of 571.35 g/mol. Its IUPAC name is bis(2-amino-4-methylsulfanylbutanoic acid);diphenyltin.

Molecular Properties

Compound Namebis(2-amino-4-methylsulfanylbutanoic acid);diphenyltin
PubChem CID10531078
Molecular FormulaC22H32N2O4S2Sn
Molecular Weight571.35 g/mol
Exact Mass572.08
IUPAC Namebis(2-amino-4-methylsulfanylbutanoic acid);diphenyltin
SMILESCSCCC(N)C(=O)O.CSCCC(N)C(=O)O.c1ccc([Sn]c2ccccc2)cc1
InChIInChI=1S/2C6H5.2C5H11NO2S.Sn/c2*1-2-4-6-5-3-1;2*1-9-3-2-4(6)5(7)8;/h2*1-5H;2*4H,2-3,6H2,1H3,(H,7,8);
InChIKeyLFFAVNWWWAUKML-UHFFFAOYSA-N
XLogP1.64
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.35
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid
CID 158339063
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
(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
2-amino-4-methylsulfanylbutanoic acid
CID 876
(2S)-2-amino-4-methylsulfanylbutanoic acid;phenylmethanethiol
CID 87560055
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409
CID 173007920
CID 173007920
bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc
CID 132989209
(2S)-2-amino-4-methylsulfanylbutanoic acid;2-hydroxybenzoic acid
CID 158995174

Frequently Asked Questions

What is the IUPAC name of bis(2-amino-4-methylsulfanylbutanoic acid);diphenyltin?
The IUPAC name of bis(2-amino-4-methylsulfanylbutanoic acid);diphenyltin (CID 10531078) is bis(2-amino-4-methylsulfanylbutanoic acid);diphenyltin.
What is the SMILES notation for bis(2-amino-4-methylsulfanylbutanoic acid);diphenyltin?
The canonical SMILES for bis(2-amino-4-methylsulfanylbutanoic acid);diphenyltin is CSCCC(N)C(=O)O.CSCCC(N)C(=O)O.c1ccc([Sn]c2ccccc2)cc1.
What is the InChIKey of bis(2-amino-4-methylsulfanylbutanoic acid);diphenyltin?
The InChIKey is LFFAVNWWWAUKML-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.2C5H11NO2S.Sn/c2*1-2-4-6-5-3-1;2*1-9-3-2-4(6)5(7)8;/h2*1-5H;2*4H,2-3,6H2,1H3,(H,7,8);.
What are the key properties of bis(2-amino-4-methylsulfanylbutanoic acid);diphenyltin?
bis(2-amino-4-methylsulfanylbutanoic acid);diphenyltin has a molecular weight of 571.35 g/mol, XLogP of 1.64, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-amino-4-methylsulfanylbutanoic acid);diphenyltin is sourced from PubChem (CID 10531078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).