2-(carboxymethyldisulfanyl)acetic acid;molecular iodine

C4H6I2O4S2 — CID 91297396

IUPAC2-(carboxymethyldisulfanyl)acetic acid;molecular iodine
SMILESII.O=C(O)CSSCC(=O)O
InChIInChI=1S/C4H6O4S2.I2/c5-3(6)1-9-10-2-4(7)8;1-2/h1-2H2,(H,5,6)(H,7,8);
InChIKeyOWSCVMYVVXOCDD-UHFFFAOYSA-N
MW436.03 g/mol
LogP2.31
Rot. Bonds5

About 2-(carboxymethyldisulfanyl)acetic acid;molecular iodine

2-(carboxymethyldisulfanyl)acetic acid;molecular iodine (PubChem CID 91297396) has the molecular formula C4H6I2O4S2 and a molecular weight of 436.03 g/mol. Its IUPAC name is 2-(carboxymethyldisulfanyl)acetic acid;molecular iodine.

Molecular Properties

Compound Name2-(carboxymethyldisulfanyl)acetic acid;molecular iodine
PubChem CID91297396
Molecular FormulaC4H6I2O4S2
Molecular Weight436.03 g/mol
Exact Mass435.78
IUPAC Name2-(carboxymethyldisulfanyl)acetic acid;molecular iodine
SMILESII.O=C(O)CSSCC(=O)O
InChIInChI=1S/C4H6O4S2.I2/c5-3(6)1-9-10-2-4(7)8;1-2/h1-2H2,(H,5,6)(H,7,8);
InChIKeyOWSCVMYVVXOCDD-UHFFFAOYSA-N
XLogP2.31
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.03
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

CID 170844762
CID 170844762
2-iodosulfanylacetic acid
CID 122666732
aminomethanethiol;2-(aminomethyldisulfanyl)acetic acid;(aminomethyldisulfanyl)methanamine;2-(carboxymethyldisulfanyl)acetic acid;2-sulfanylacetic acid
CID 160556777
azanide;bis(2-methylsulfanylacetic acid);platinum(2+)
CID 58480747
2-[3-[3-[3-(carboxymethylsulfanyl)propylsulfanyl]propylsulfanyl]propylsulfanyl]acetic acid;rhodium-105(3+)
CID 10457749
2-[[(2S)-2-aminopropanoyl]disulfanyl]acetic acid
CID 91102497
2-dihydroxyphosphanylsulfanylacetic acid
CID 89179958
2-methanethioylsulfanylacetic acid
CID 22952985
butanoic acid;2-methylsulfanylacetic acid;propanoic acid
CID 91435163
2-(2-oxopropyldisulfanyl)acetyl iodide
CID 88941427
2-[3-(carboxymethylsulfanyl)-2-hydroxypropyl]sulfanylacetic acid
CID 71360068
CID 57473469
CID 57473469

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethyldisulfanyl)acetic acid;molecular iodine?
The IUPAC name of 2-(carboxymethyldisulfanyl)acetic acid;molecular iodine (CID 91297396) is 2-(carboxymethyldisulfanyl)acetic acid;molecular iodine.
What is the SMILES notation for 2-(carboxymethyldisulfanyl)acetic acid;molecular iodine?
The canonical SMILES for 2-(carboxymethyldisulfanyl)acetic acid;molecular iodine is II.O=C(O)CSSCC(=O)O.
What is the InChIKey of 2-(carboxymethyldisulfanyl)acetic acid;molecular iodine?
The InChIKey is OWSCVMYVVXOCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4S2.I2/c5-3(6)1-9-10-2-4(7)8;1-2/h1-2H2,(H,5,6)(H,7,8);.
What are the key properties of 2-(carboxymethyldisulfanyl)acetic acid;molecular iodine?
2-(carboxymethyldisulfanyl)acetic acid;molecular iodine has a molecular weight of 436.03 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethyldisulfanyl)acetic acid;molecular iodine is sourced from PubChem (CID 91297396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).