1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-ol

C10H15ClO3S2 — CID 102764411

IUPAC1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-ol
SMILESCc1cc(C(O)C(C)(C)S(C)(=O)=O)sc1Cl
InChIInChI=1S/C10H15ClO3S2/c1-6-5-7(15-9(6)11)8(12)10(2,3)16(4,13)14/h5,8,12H,1-4H3
InChIKeyIZYLZFBPFMASJV-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.57
Rot. Bonds3

About 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-ol

1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-ol (PubChem CID 102764411) has the molecular formula C10H15ClO3S2 and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-ol
PubChem CID102764411
Molecular FormulaC10H15ClO3S2
Molecular Weight282.81 g/mol
Exact Mass282.02
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-ol
SMILESCc1cc(C(O)C(C)(C)S(C)(=O)=O)sc1Cl
InChIInChI=1S/C10H15ClO3S2/c1-6-5-7(15-9(6)11)8(12)10(2,3)16(4,13)14/h5,8,12H,1-4H3
InChIKeyIZYLZFBPFMASJV-UHFFFAOYSA-N
XLogP2.57
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292
1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
CID 102764212
1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol
CID 102764468
1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-one
CID 102762845
1-(3,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-ol
CID 114979613
1-(2-chloro-5-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol
CID 105397615
1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol
CID 102764586
1-(5-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 102764394
5-chloro-4-methylthiophene-2-sulfonic acid
CID 89170993
(5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 102764416
(5-chloro-4-methylthiophen-2-yl)-(1-methylcyclopentyl)methanol
CID 102764522
1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol
CID 102764589

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-ol?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-ol (CID 102764411) is 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-ol.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-ol?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-ol is Cc1cc(C(O)C(C)(C)S(C)(=O)=O)sc1Cl.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-ol?
The InChIKey is IZYLZFBPFMASJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO3S2/c1-6-5-7(15-9(6)11)8(12)10(2,3)16(4,13)14/h5,8,12H,1-4H3.
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-ol?
1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-ol has a molecular weight of 282.81 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-ol is sourced from PubChem (CID 102764411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).