(2R,3R)-3-[(2S,3R)-3-sulfanylbutan-2-yl]sulfanylbutan-2-ol

C8H18OS2 — CID 51411795

IUPAC(2R,3R)-3-[(2S,3R)-3-sulfanylbutan-2-yl]sulfanylbutan-2-ol
SMILESC[C@H](S[C@H](C)[C@@H](C)O)[C@@H](C)S
InChIInChI=1S/C8H18OS2/c1-5(9)7(3)11-8(4)6(2)10/h5-10H,1-4H3/t5-,6-,7-,8+/m1/s1
InChIKeyPHLKBLKTWMSFGF-XUTVFYLZSA-N
MW194.36 g/mol
LogP2.20
Rot. Bonds4

About (2R,3R)-3-[(2S,3R)-3-sulfanylbutan-2-yl]sulfanylbutan-2-ol

(2R,3R)-3-[(2S,3R)-3-sulfanylbutan-2-yl]sulfanylbutan-2-ol (PubChem CID 51411795) has the molecular formula C8H18OS2 and a molecular weight of 194.36 g/mol. Its IUPAC name is (2R,3R)-3-[(2S,3R)-3-sulfanylbutan-2-yl]sulfanylbutan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-[(2S,3R)-3-sulfanylbutan-2-yl]sulfanylbutan-2-ol
PubChem CID51411795
Molecular FormulaC8H18OS2
Molecular Weight194.36 g/mol
Exact Mass194.08
IUPAC Name(2R,3R)-3-[(2S,3R)-3-sulfanylbutan-2-yl]sulfanylbutan-2-ol
SMILESC[C@H](S[C@H](C)[C@@H](C)O)[C@@H](C)S
InChIInChI=1S/C8H18OS2/c1-5(9)7(3)11-8(4)6(2)10/h5-10H,1-4H3/t5-,6-,7-,8+/m1/s1
InChIKeyPHLKBLKTWMSFGF-XUTVFYLZSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[(2S,3R)-3-sulfanylbutan-2-yl]sulfanylbutan-2-ol?
The IUPAC name of (2R,3R)-3-[(2S,3R)-3-sulfanylbutan-2-yl]sulfanylbutan-2-ol (CID 51411795) is (2R,3R)-3-[(2S,3R)-3-sulfanylbutan-2-yl]sulfanylbutan-2-ol.
What is the SMILES notation for (2R,3R)-3-[(2S,3R)-3-sulfanylbutan-2-yl]sulfanylbutan-2-ol?
The canonical SMILES for (2R,3R)-3-[(2S,3R)-3-sulfanylbutan-2-yl]sulfanylbutan-2-ol is C[C@H](S[C@H](C)[C@@H](C)O)[C@@H](C)S.
What is the InChIKey of (2R,3R)-3-[(2S,3R)-3-sulfanylbutan-2-yl]sulfanylbutan-2-ol?
The InChIKey is PHLKBLKTWMSFGF-XUTVFYLZSA-N. The full InChI is InChI=1S/C8H18OS2/c1-5(9)7(3)11-8(4)6(2)10/h5-10H,1-4H3/t5-,6-,7-,8+/m1/s1.
What are the key properties of (2R,3R)-3-[(2S,3R)-3-sulfanylbutan-2-yl]sulfanylbutan-2-ol?
(2R,3R)-3-[(2S,3R)-3-sulfanylbutan-2-yl]sulfanylbutan-2-ol has a molecular weight of 194.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[(2S,3R)-3-sulfanylbutan-2-yl]sulfanylbutan-2-ol is sourced from PubChem (CID 51411795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).