(5S)-5-(hydroxymethyl)-2-methyl-4-(2-sulfanylethyl)oxolan-3-ol

C8H16O3S — CID 118011916

IUPAC(5S)-5-(hydroxymethyl)-2-methyl-4-(2-sulfanylethyl)oxolan-3-ol
SMILESCC1O[C@H](CO)C(CCS)C1O
InChIInChI=1S/C8H16O3S/c1-5-8(10)6(2-3-12)7(4-9)11-5/h5-10,12H,2-4H2,1H3/t5?,6?,7-,8?/m1/s1
InChIKeySIFBVLUKVSEQSW-DJAIAVIWSA-N
MW192.28 g/mol
LogP0.06
Rot. Bonds3

About (5S)-5-(hydroxymethyl)-2-methyl-4-(2-sulfanylethyl)oxolan-3-ol

(5S)-5-(hydroxymethyl)-2-methyl-4-(2-sulfanylethyl)oxolan-3-ol (PubChem CID 118011916) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is (5S)-5-(hydroxymethyl)-2-methyl-4-(2-sulfanylethyl)oxolan-3-ol.

Molecular Properties

Compound Name(5S)-5-(hydroxymethyl)-2-methyl-4-(2-sulfanylethyl)oxolan-3-ol
PubChem CID118011916
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name(5S)-5-(hydroxymethyl)-2-methyl-4-(2-sulfanylethyl)oxolan-3-ol
SMILESCC1O[C@H](CO)C(CCS)C1O
InChIInChI=1S/C8H16O3S/c1-5-8(10)6(2-3-12)7(4-9)11-5/h5-10,12H,2-4H2,1H3/t5?,6?,7-,8?/m1/s1
InChIKeySIFBVLUKVSEQSW-DJAIAVIWSA-N
XLogP0.06
TPSA49.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S)-4,5-bis(hydroxymethyl)-2-methyloxolan-3-ol
CID 88976527
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634
(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59116084
(4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 143617458
(2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol
CID 168899706
actinium;(3R,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59934625

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(hydroxymethyl)-2-methyl-4-(2-sulfanylethyl)oxolan-3-ol?
The IUPAC name of (5S)-5-(hydroxymethyl)-2-methyl-4-(2-sulfanylethyl)oxolan-3-ol (CID 118011916) is (5S)-5-(hydroxymethyl)-2-methyl-4-(2-sulfanylethyl)oxolan-3-ol.
What is the SMILES notation for (5S)-5-(hydroxymethyl)-2-methyl-4-(2-sulfanylethyl)oxolan-3-ol?
The canonical SMILES for (5S)-5-(hydroxymethyl)-2-methyl-4-(2-sulfanylethyl)oxolan-3-ol is CC1O[C@H](CO)C(CCS)C1O.
What is the InChIKey of (5S)-5-(hydroxymethyl)-2-methyl-4-(2-sulfanylethyl)oxolan-3-ol?
The InChIKey is SIFBVLUKVSEQSW-DJAIAVIWSA-N. The full InChI is InChI=1S/C8H16O3S/c1-5-8(10)6(2-3-12)7(4-9)11-5/h5-10,12H,2-4H2,1H3/t5?,6?,7-,8?/m1/s1.
What are the key properties of (5S)-5-(hydroxymethyl)-2-methyl-4-(2-sulfanylethyl)oxolan-3-ol?
(5S)-5-(hydroxymethyl)-2-methyl-4-(2-sulfanylethyl)oxolan-3-ol has a molecular weight of 192.28 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(hydroxymethyl)-2-methyl-4-(2-sulfanylethyl)oxolan-3-ol is sourced from PubChem (CID 118011916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).