5-bromothiophene-2-carboxylic acid;tricyclohexylstannane

C23H37BrO2SSn — CID 175022790

IUPAC5-bromothiophene-2-carboxylic acid;tricyclohexylstannane
SMILESC1CCC([SnH](C2CCCCC2)C2CCCCC2)CC1.O=C(O)c1ccc(Br)s1
InChIInChI=1S/3C6H11.C5H3BrO2S.Sn.H/c3*1-2-4-6-5-3-1;6-4-2-1-3(9-4)5(7)8;;/h3*1H,2-6H2;1-2H,(H,7,8);;
InChIKeyPGESCNARVFXBCA-UHFFFAOYSA-N
MW576.23 g/mol
LogP8.43
Rot. Bonds4

About 5-bromothiophene-2-carboxylic acid;tricyclohexylstannane

5-bromothiophene-2-carboxylic acid;tricyclohexylstannane (PubChem CID 175022790) has the molecular formula C23H37BrO2SSn and a molecular weight of 576.23 g/mol. Its IUPAC name is 5-bromothiophene-2-carboxylic acid;tricyclohexylstannane.

Molecular Properties

Compound Name5-bromothiophene-2-carboxylic acid;tricyclohexylstannane
PubChem CID175022790
Molecular FormulaC23H37BrO2SSn
Molecular Weight576.23 g/mol
Exact Mass576.07
IUPAC Name5-bromothiophene-2-carboxylic acid;tricyclohexylstannane
SMILESC1CCC([SnH](C2CCCCC2)C2CCCCC2)CC1.O=C(O)c1ccc(Br)s1
InChIInChI=1S/3C6H11.C5H3BrO2S.Sn.H/c3*1-2-4-6-5-3-1;6-4-2-1-3(9-4)5(7)8;;/h3*1H,2-6H2;1-2H,(H,7,8);;
InChIKeyPGESCNARVFXBCA-UHFFFAOYSA-N
XLogP8.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.23
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromothiophen-2-yl)-cyclooctylmethanone
CID 65018784
1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one
CID 61103392
5-bromo-N-cyclopentyloxythiophene-2-carboxamide
CID 83202790
5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide
CID 81483299
2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid
CID 54901538
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(5-bromothiophen-2-yl)methanone
CID 60630423
1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone
CID 61446500
2-[(5-bromothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64814788
5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
CID 33372780
1-(5-bromothiophen-2-yl)-2-(cyclopentylmethylsulfonyl)ethanone
CID 64637362
(5-bromothiophen-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421504
5-bromo-N-(2-hydroxycyclohexyl)thiophene-2-carboxamide
CID 62360157

Frequently Asked Questions

What is the IUPAC name of 5-bromothiophene-2-carboxylic acid;tricyclohexylstannane?
The IUPAC name of 5-bromothiophene-2-carboxylic acid;tricyclohexylstannane (CID 175022790) is 5-bromothiophene-2-carboxylic acid;tricyclohexylstannane.
What is the SMILES notation for 5-bromothiophene-2-carboxylic acid;tricyclohexylstannane?
The canonical SMILES for 5-bromothiophene-2-carboxylic acid;tricyclohexylstannane is C1CCC([SnH](C2CCCCC2)C2CCCCC2)CC1.O=C(O)c1ccc(Br)s1.
What is the InChIKey of 5-bromothiophene-2-carboxylic acid;tricyclohexylstannane?
The InChIKey is PGESCNARVFXBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H11.C5H3BrO2S.Sn.H/c3*1-2-4-6-5-3-1;6-4-2-1-3(9-4)5(7)8;;/h3*1H,2-6H2;1-2H,(H,7,8);;.
What are the key properties of 5-bromothiophene-2-carboxylic acid;tricyclohexylstannane?
5-bromothiophene-2-carboxylic acid;tricyclohexylstannane has a molecular weight of 576.23 g/mol, XLogP of 8.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromothiophene-2-carboxylic acid;tricyclohexylstannane is sourced from PubChem (CID 175022790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).