(3S,4R)-thiolane-3,4-diol

C4H8O2S — CID 15869436

IUPAC(3S,4R)-thiolane-3,4-diol
SMILESO[C@@H]1CSC[C@@H]1O
InChIInChI=1S/C4H8O2S/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4+
InChIKeyWONPWMKTZAPWSP-ZXZARUISSA-N
MW120.17 g/mol
LogP-0.55
Rot. Bonds

About (3S,4R)-thiolane-3,4-diol

(3S,4R)-thiolane-3,4-diol (PubChem CID 15869436) has the molecular formula C4H8O2S and a molecular weight of 120.17 g/mol. Its IUPAC name is (3S,4R)-thiolane-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-thiolane-3,4-diol
PubChem CID15869436
Molecular FormulaC4H8O2S
Molecular Weight120.17 g/mol
Exact Mass120.02
IUPAC Name(3S,4R)-thiolane-3,4-diol
SMILESO[C@@H]1CSC[C@@H]1O
InChIInChI=1S/C4H8O2S/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4+
InChIKeyWONPWMKTZAPWSP-ZXZARUISSA-N
XLogP-0.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Thiolan-3-ol
CID 315652
2-Methylthiolan-3-ol
CID 19957309
(2R,3S,4S)-2-(hydroxymethyl)thiolane-3,4-diol
CID 11423684
(r)-Tetrahydrothiophen-3-ol
CID 10011856
(3S)-thiolan-3-ol
CID 10103130
3-Ethylthiopropane-1,2-diol
CID 108509
3-(Methylthio)-1,2-propanediol
CID 90802
Tetrahydro-3,4-thiophenediol
CID 19596996
2-(Hydroxymethyl)tetrahydrothiophene-3,4-diol
CID 18423712
trans-2-Methylthiolan-3-ol
CID 56991911
4-Methylthiobutane-1,2-diol
CID 191434
3-(Butylthio)propane-1,2-diol
CID 3020344

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-thiolane-3,4-diol?
The IUPAC name of (3S,4R)-thiolane-3,4-diol (CID 15869436) is (3S,4R)-thiolane-3,4-diol.
What is the SMILES notation for (3S,4R)-thiolane-3,4-diol?
The canonical SMILES for (3S,4R)-thiolane-3,4-diol is O[C@@H]1CSC[C@@H]1O.
What is the InChIKey of (3S,4R)-thiolane-3,4-diol?
The InChIKey is WONPWMKTZAPWSP-ZXZARUISSA-N. The full InChI is InChI=1S/C4H8O2S/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4+.
What are the key properties of (3S,4R)-thiolane-3,4-diol?
(3S,4R)-thiolane-3,4-diol has a molecular weight of 120.17 g/mol, XLogP of -0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-thiolane-3,4-diol is sourced from PubChem (CID 15869436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).