(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol

C9H14O2S — CID 138661529

IUPAC(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
SMILESCC(C)[C@@H](O)[C@@H](O)c1cccs1
InChIInChI=1S/C9H14O2S/c1-6(2)8(10)9(11)7-4-3-5-12-7/h3-6,8-11H,1-2H3/t8-,9+/m1/s1
InChIKeyFWSJIGUYKWFDDI-BDAKNGLRSA-N
MW186.28 g/mol
LogP1.80
Rot. Bonds3

About (1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol

(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol (PubChem CID 138661529) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is (1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol.

Molecular Properties

Compound Name(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
PubChem CID138661529
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
SMILESCC(C)[C@@H](O)[C@@H](O)c1cccs1
InChIInChI=1S/C9H14O2S/c1-6(2)8(10)9(11)7-4-3-5-12-7/h3-6,8-11H,1-2H3/t8-,9+/m1/s1
InChIKeyFWSJIGUYKWFDDI-BDAKNGLRSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
2-bromo-1-thiophen-2-ylpropan-1-ol
CID 116863277
3-ethyl-1-thiophen-2-ylpentane-1,2-diol
CID 103459851
3,3-dimethyl-1-thiophen-2-ylbutane-1,2-diol
CID 103457313
(1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol
CID 11651207
2-propan-2-ylthiophene
CID 178128598
2-methylsulfonyl-1-thiophen-2-ylpropan-1-ol
CID 104521074
2-ethoxy-1-thiophen-2-ylpropan-1-ol
CID 64541559
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189371
N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515
1-thiophen-2-ylpropane-1,2,3-triol
CID 59769549
2-ethoxy-3,3-dimethyl-1-thiophen-2-ylbutan-1-ol
CID 116713377

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol?
The IUPAC name of (1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol (CID 138661529) is (1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol.
What is the SMILES notation for (1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol?
The canonical SMILES for (1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol is CC(C)[C@@H](O)[C@@H](O)c1cccs1.
What is the InChIKey of (1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol?
The InChIKey is FWSJIGUYKWFDDI-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H14O2S/c1-6(2)8(10)9(11)7-4-3-5-12-7/h3-6,8-11H,1-2H3/t8-,9+/m1/s1.
What are the key properties of (1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol?
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol has a molecular weight of 186.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol is sourced from PubChem (CID 138661529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).