bromomethane;2-hydroxy-2,2-dithiophen-2-ylacetate

C11H10BrO3S2- — CID 19968462

IUPACbromomethane;2-hydroxy-2,2-dithiophen-2-ylacetate
SMILESCBr.O=C([O-])C(O)(c1cccs1)c1cccs1
InChIInChI=1S/C10H8O3S2.CH3Br/c11-9(12)10(13,7-3-1-5-14-7)8-4-2-6-15-8;1-2/h1-6,13H,(H,11,12);1H3/p-1
InChIKeyVPLYEVNQBYBSQO-UHFFFAOYSA-M
MW334.24 g/mol
LogP1.81
Rot. Bonds3

About bromomethane;2-hydroxy-2,2-dithiophen-2-ylacetate

bromomethane;2-hydroxy-2,2-dithiophen-2-ylacetate (PubChem CID 19968462) has the molecular formula C11H10BrO3S2- and a molecular weight of 334.24 g/mol. Its IUPAC name is bromomethane;2-hydroxy-2,2-dithiophen-2-ylacetate.

Molecular Properties

Compound Namebromomethane;2-hydroxy-2,2-dithiophen-2-ylacetate
PubChem CID19968462
Molecular FormulaC11H10BrO3S2-
Molecular Weight334.24 g/mol
Exact Mass332.93
IUPAC Namebromomethane;2-hydroxy-2,2-dithiophen-2-ylacetate
SMILESCBr.O=C([O-])C(O)(c1cccs1)c1cccs1
InChIInChI=1S/C10H8O3S2.CH3Br/c11-9(12)10(13,7-3-1-5-14-7)8-4-2-6-15-8;1-2/h1-6,13H,(H,11,12);1H3/p-1
InChIKeyVPLYEVNQBYBSQO-UHFFFAOYSA-M
XLogP1.81
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-1,1-dithiophen-2-ylpropan-2-one
CID 23553455
2-hydroxy-2,2-dithiophen-2-ylacetic acid;hydrate
CID 141178133
2-(2-bromopropan-2-yl)thiophene
CID 174915633
3-ethoxy-2-methyl-3-oxo-2-thiophen-2-ylpropanoate
CID 71319693
2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride
CID 67842906
3-amino-3-thiophen-2-ylbutanoic acid
CID 55270951
2-tert-butylthiophene;oxaldehyde
CID 175171370
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
methyl 2-(2-bromophenyl)-2-hydroxy-2-thiophen-2-ylacetate
CID 171477878
methyl 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate
CID 118798449
methyl 3-hydroxy-2-methyl-3-thiophen-2-ylbutanoate
CID 72784913
4,4,4-trifluoro-3-hydroxy-3-thiophen-2-ylbutan-2-one
CID 71067149

Frequently Asked Questions

What is the IUPAC name of bromomethane;2-hydroxy-2,2-dithiophen-2-ylacetate?
The IUPAC name of bromomethane;2-hydroxy-2,2-dithiophen-2-ylacetate (CID 19968462) is bromomethane;2-hydroxy-2,2-dithiophen-2-ylacetate.
What is the SMILES notation for bromomethane;2-hydroxy-2,2-dithiophen-2-ylacetate?
The canonical SMILES for bromomethane;2-hydroxy-2,2-dithiophen-2-ylacetate is CBr.O=C([O-])C(O)(c1cccs1)c1cccs1.
What is the InChIKey of bromomethane;2-hydroxy-2,2-dithiophen-2-ylacetate?
The InChIKey is VPLYEVNQBYBSQO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O3S2.CH3Br/c11-9(12)10(13,7-3-1-5-14-7)8-4-2-6-15-8;1-2/h1-6,13H,(H,11,12);1H3/p-1.
What are the key properties of bromomethane;2-hydroxy-2,2-dithiophen-2-ylacetate?
bromomethane;2-hydroxy-2,2-dithiophen-2-ylacetate has a molecular weight of 334.24 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;2-hydroxy-2,2-dithiophen-2-ylacetate is sourced from PubChem (CID 19968462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).