(2S,3R)-1-(disulfanyl)butane-1,2,3,4-tetrol

C4H10O4S2 — CID 140970562

IUPAC(2S,3R)-1-(disulfanyl)butane-1,2,3,4-tetrol
SMILESOC[C@@H](O)[C@H](O)C(O)SS
InChIInChI=1S/C4H10O4S2/c5-1-2(6)3(7)4(8)10-9/h2-9H,1H2/t2-,3+,4?/m1/s1
InChIKeyLFLJIOIMCPYLSA-BCDHYOAOSA-N
MW186.25 g/mol
LogP-1.40
Rot. Bonds4

About (2S,3R)-1-(disulfanyl)butane-1,2,3,4-tetrol

(2S,3R)-1-(disulfanyl)butane-1,2,3,4-tetrol (PubChem CID 140970562) has the molecular formula C4H10O4S2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S,3R)-1-(disulfanyl)butane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2S,3R)-1-(disulfanyl)butane-1,2,3,4-tetrol
PubChem CID140970562
Molecular FormulaC4H10O4S2
Molecular Weight186.25 g/mol
Exact Mass186.00
IUPAC Name(2S,3R)-1-(disulfanyl)butane-1,2,3,4-tetrol
SMILESOC[C@@H](O)[C@H](O)C(O)SS
InChIInChI=1S/C4H10O4S2/c5-1-2(6)3(7)4(8)10-9/h2-9H,1H2/t2-,3+,4?/m1/s1
InChIKeyLFLJIOIMCPYLSA-BCDHYOAOSA-N
XLogP-1.40
TPSA80.92 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-1.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2S,3R,4S,5S)-5-sulfanylhexane-1,2,3,4,6-pentol
CID 87766833
pentane-1,2,3,4,5-pentol;dihydrochloride
CID 175842943
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
CID 87266813
CID 87266813
CID 158428296
CID 158428296
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-(disulfanyl)butane-1,2,3,4-tetrol?
The IUPAC name of (2S,3R)-1-(disulfanyl)butane-1,2,3,4-tetrol (CID 140970562) is (2S,3R)-1-(disulfanyl)butane-1,2,3,4-tetrol.
What is the SMILES notation for (2S,3R)-1-(disulfanyl)butane-1,2,3,4-tetrol?
The canonical SMILES for (2S,3R)-1-(disulfanyl)butane-1,2,3,4-tetrol is OC[C@@H](O)[C@H](O)C(O)SS.
What is the InChIKey of (2S,3R)-1-(disulfanyl)butane-1,2,3,4-tetrol?
The InChIKey is LFLJIOIMCPYLSA-BCDHYOAOSA-N. The full InChI is InChI=1S/C4H10O4S2/c5-1-2(6)3(7)4(8)10-9/h2-9H,1H2/t2-,3+,4?/m1/s1.
What are the key properties of (2S,3R)-1-(disulfanyl)butane-1,2,3,4-tetrol?
(2S,3R)-1-(disulfanyl)butane-1,2,3,4-tetrol has a molecular weight of 186.25 g/mol, XLogP of -1.40, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-(disulfanyl)butane-1,2,3,4-tetrol is sourced from PubChem (CID 140970562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).