(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;2-iodoacetamide

C6H14INO3S2 — CID 87360048

IUPAC(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;2-iodoacetamide
SMILESNC(=O)CI.O[C@H](CS)[C@H](O)CS
InChIInChI=1S/C4H10O2S2.C2H4INO/c5-3(1-7)4(6)2-8;3-1-2(4)5/h3-8H,1-2H2;1H2,(H2,4,5)/t3-,4-;/m1./s1
InChIKeyRGFXOVUKDPOGIW-VKKIDBQXSA-N
MW339.22 g/mol
LogP-0.53
Rot. Bonds4

About (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;2-iodoacetamide

(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;2-iodoacetamide (PubChem CID 87360048) has the molecular formula C6H14INO3S2 and a molecular weight of 339.22 g/mol. Its IUPAC name is (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;2-iodoacetamide.

Molecular Properties

Compound Name(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;2-iodoacetamide
PubChem CID87360048
Molecular FormulaC6H14INO3S2
Molecular Weight339.22 g/mol
Exact Mass338.95
IUPAC Name(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;2-iodoacetamide
SMILESNC(=O)CI.O[C@H](CS)[C@H](O)CS
InChIInChI=1S/C4H10O2S2.C2H4INO/c5-3(1-7)4(6)2-8;3-1-2(4)5/h3-8H,1-2H2;1H2,(H2,4,5)/t3-,4-;/m1./s1
InChIKeyRGFXOVUKDPOGIW-VKKIDBQXSA-N
XLogP-0.53
TPSA83.55 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 5-0.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-iodoacetamide;hydroiodide
CID 172817910
sodium;hydride;2-iodoacetamide
CID 173298504
(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;sulfane
CID 90205919
CID 172754497
CID 172754497
1,4-bis(sulfanyl)butane-2,3-diol;phosphoric acid
CID 175430478
2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol
CID 87643677
(2R,3R)-4-sulfanylbutane-1,2,3-triol
CID 20617781
(2R)-2-amino-3-[[(2S,3S)-2,3-dihydroxy-4-sulfanylbutyl]disulfanyl]propanoic acid
CID 137348538
(2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol
CID 3053653
stibane;2-sulfanylacetamide
CID 174949803
CID 174870249
CID 174870249
2-iodoacetamide;thiophene
CID 67354113

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;2-iodoacetamide?
The IUPAC name of (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;2-iodoacetamide (CID 87360048) is (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;2-iodoacetamide.
What is the SMILES notation for (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;2-iodoacetamide?
The canonical SMILES for (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;2-iodoacetamide is NC(=O)CI.O[C@H](CS)[C@H](O)CS.
What is the InChIKey of (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;2-iodoacetamide?
The InChIKey is RGFXOVUKDPOGIW-VKKIDBQXSA-N. The full InChI is InChI=1S/C4H10O2S2.C2H4INO/c5-3(1-7)4(6)2-8;3-1-2(4)5/h3-8H,1-2H2;1H2,(H2,4,5)/t3-,4-;/m1./s1.
What are the key properties of (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;2-iodoacetamide?
(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;2-iodoacetamide has a molecular weight of 339.22 g/mol, XLogP of -0.53, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;2-iodoacetamide is sourced from PubChem (CID 87360048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).