(2R,3R)-1,4-bis(nitrososulfanyl)butane-2,3-diol

C4H8N2O4S2 — CID 100919953

IUPAC(2R,3R)-1,4-bis(nitrososulfanyl)butane-2,3-diol
SMILESO=NSC[C@H](O)[C@@H](O)CSN=O
InChIInChI=1S/C4H8N2O4S2/c7-3(1-11-5-9)4(8)2-12-6-10/h3-4,7-8H,1-2H2/t3-,4-/m0/s1
InChIKeyVEGVZEGLLVWGAN-IMJSIDKUSA-N
MW212.25 g/mol
LogP0.54
Rot. Bonds7

About (2R,3R)-1,4-bis(nitrososulfanyl)butane-2,3-diol

(2R,3R)-1,4-bis(nitrososulfanyl)butane-2,3-diol (PubChem CID 100919953) has the molecular formula C4H8N2O4S2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2R,3R)-1,4-bis(nitrososulfanyl)butane-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-1,4-bis(nitrososulfanyl)butane-2,3-diol
PubChem CID100919953
Molecular FormulaC4H8N2O4S2
Molecular Weight212.25 g/mol
Exact Mass211.99
IUPAC Name(2R,3R)-1,4-bis(nitrososulfanyl)butane-2,3-diol
SMILESO=NSC[C@H](O)[C@@H](O)CSN=O
InChIInChI=1S/C4H8N2O4S2/c7-3(1-11-5-9)4(8)2-12-6-10/h3-4,7-8H,1-2H2/t3-,4-/m0/s1
InChIKeyVEGVZEGLLVWGAN-IMJSIDKUSA-N
XLogP0.54
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(methylamino)-3-nitrososulfanylpropanamide
CID 123221245
(2R)-2-acetamido-N-methyl-3-nitrososulfanylpropanamide
CID 89275978
amino 2-acetamido-3-nitrososulfanylpropanoate
CID 142714274
acetamide;propyl 2-methyl-3-nitrososulfanylpropanoate
CID 177062947
(2R,3S)-1-methylsulfanyl-3-nitrosopentan-2-ol
CID 88961577
3-hydroxy-4-(3-hydroxy-2-nitrosopropyl)sulfanyl-2-[(3-hydroxy-2-nitrosopropyl)sulfanylmethyl]butanenitrile
CID 170087315
nitrosomethanediol
CID 142787686
3-nitrosobutane-1,2,4-triol
CID 89185145
(2S)-5-amino-2-[[(2R)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-nitrososulfanylpropanoyl]amino]-5-oxopentanoic acid
CID 18709917
3-nitrosobutane-1,2-diol
CID 163873378
2-nitrosopentan-3-ol
CID 88945091
1-(2-hydroxy-3-isocyanatobutyl)sulfanyl-3-isocyanatobutan-2-ol
CID 88767941

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,4-bis(nitrososulfanyl)butane-2,3-diol?
The IUPAC name of (2R,3R)-1,4-bis(nitrososulfanyl)butane-2,3-diol (CID 100919953) is (2R,3R)-1,4-bis(nitrososulfanyl)butane-2,3-diol.
What is the SMILES notation for (2R,3R)-1,4-bis(nitrososulfanyl)butane-2,3-diol?
The canonical SMILES for (2R,3R)-1,4-bis(nitrososulfanyl)butane-2,3-diol is O=NSC[C@H](O)[C@@H](O)CSN=O.
What is the InChIKey of (2R,3R)-1,4-bis(nitrososulfanyl)butane-2,3-diol?
The InChIKey is VEGVZEGLLVWGAN-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H8N2O4S2/c7-3(1-11-5-9)4(8)2-12-6-10/h3-4,7-8H,1-2H2/t3-,4-/m0/s1.
What are the key properties of (2R,3R)-1,4-bis(nitrososulfanyl)butane-2,3-diol?
(2R,3R)-1,4-bis(nitrososulfanyl)butane-2,3-diol has a molecular weight of 212.25 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,4-bis(nitrososulfanyl)butane-2,3-diol is sourced from PubChem (CID 100919953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).