(3R,5S,7Z)-5-methoxy-3,4,5,6-tetrahydro-2H-thiocin-3-ol

C8H14O2S — CID 134932965

IUPAC(3R,5S,7Z)-5-methoxy-3,4,5,6-tetrahydro-2H-thiocin-3-ol
SMILESCO[C@H]1C/C=C\SC[C@H](O)C1
InChIInChI=1S/C8H14O2S/c1-10-8-3-2-4-11-6-7(9)5-8/h2,4,7-9H,3,5-6H2,1H3/b4-2-/t7-,8+/m1/s1
InChIKeyMDQCHVBVCQVQQI-KTXBOUKSSA-N
MW174.26 g/mol
LogP1.40
Rot. Bonds1

About (3R,5S,7Z)-5-methoxy-3,4,5,6-tetrahydro-2H-thiocin-3-ol

(3R,5S,7Z)-5-methoxy-3,4,5,6-tetrahydro-2H-thiocin-3-ol (PubChem CID 134932965) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is (3R,5S,7Z)-5-methoxy-3,4,5,6-tetrahydro-2H-thiocin-3-ol.

Molecular Properties

Compound Name(3R,5S,7Z)-5-methoxy-3,4,5,6-tetrahydro-2H-thiocin-3-ol
PubChem CID134932965
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name(3R,5S,7Z)-5-methoxy-3,4,5,6-tetrahydro-2H-thiocin-3-ol
SMILESCO[C@H]1C/C=C\SC[C@H](O)C1
InChIInChI=1S/C8H14O2S/c1-10-8-3-2-4-11-6-7(9)5-8/h2,4,7-9H,3,5-6H2,1H3/b4-2-/t7-,8+/m1/s1
InChIKeyMDQCHVBVCQVQQI-KTXBOUKSSA-N
XLogP1.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5S,7Z)-5-methoxy-3,4,5,6-tetrahydro-2H-thiocin-3-ol?
The IUPAC name of (3R,5S,7Z)-5-methoxy-3,4,5,6-tetrahydro-2H-thiocin-3-ol (CID 134932965) is (3R,5S,7Z)-5-methoxy-3,4,5,6-tetrahydro-2H-thiocin-3-ol.
What is the SMILES notation for (3R,5S,7Z)-5-methoxy-3,4,5,6-tetrahydro-2H-thiocin-3-ol?
The canonical SMILES for (3R,5S,7Z)-5-methoxy-3,4,5,6-tetrahydro-2H-thiocin-3-ol is CO[C@H]1C/C=C\SC[C@H](O)C1.
What is the InChIKey of (3R,5S,7Z)-5-methoxy-3,4,5,6-tetrahydro-2H-thiocin-3-ol?
The InChIKey is MDQCHVBVCQVQQI-KTXBOUKSSA-N. The full InChI is InChI=1S/C8H14O2S/c1-10-8-3-2-4-11-6-7(9)5-8/h2,4,7-9H,3,5-6H2,1H3/b4-2-/t7-,8+/m1/s1.
What are the key properties of (3R,5S,7Z)-5-methoxy-3,4,5,6-tetrahydro-2H-thiocin-3-ol?
(3R,5S,7Z)-5-methoxy-3,4,5,6-tetrahydro-2H-thiocin-3-ol has a molecular weight of 174.26 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,7Z)-5-methoxy-3,4,5,6-tetrahydro-2H-thiocin-3-ol is sourced from PubChem (CID 134932965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).