tert-butyl N-(5-bromothieno[3,2-b]thiophen-2-yl)carbamate

C11H12BrNO2S2 — CID 59015272

IUPACtert-butyl N-(5-bromothieno[3,2-b]thiophen-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc2sc(Br)cc2s1
InChIInChI=1S/C11H12BrNO2S2/c1-11(2,3)15-10(14)13-9-5-7-6(17-9)4-8(12)16-7/h4-5H,1-3H3,(H,13,14)
InChIKeyXLHKHWNGQHGNRI-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.07
Rot. Bonds1

About tert-butyl N-(5-bromothieno[3,2-b]thiophen-2-yl)carbamate

tert-butyl N-(5-bromothieno[3,2-b]thiophen-2-yl)carbamate (PubChem CID 59015272) has the molecular formula C11H12BrNO2S2 and a molecular weight of 334.26 g/mol. Its IUPAC name is tert-butyl N-(5-bromothieno[3,2-b]thiophen-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-bromothieno[3,2-b]thiophen-2-yl)carbamate
PubChem CID59015272
Molecular FormulaC11H12BrNO2S2
Molecular Weight334.26 g/mol
Exact Mass332.95
IUPAC Nametert-butyl N-(5-bromothieno[3,2-b]thiophen-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc2sc(Br)cc2s1
InChIInChI=1S/C11H12BrNO2S2/c1-11(2,3)15-10(14)13-9-5-7-6(17-9)4-8(12)16-7/h4-5H,1-3H3,(H,13,14)
InChIKeyXLHKHWNGQHGNRI-UHFFFAOYSA-N
XLogP5.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate
CID 71755375
tert-butyl N-(5-chlorothiophen-2-yl)carbamate
CID 11601095
2-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-2-yl]acetic acid
CID 172801089
tert-butyl N-(2-bromo-5-chlorothiophen-3-yl)carbamate
CID 155388751
tert-butyl N-(3-bromo-5-methylthiophen-2-yl)carbamate;tert-butyl N-(5-methylthiophen-2-yl)carbamate
CID 159564080
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-(2-bromo-5-ethenylthiophen-3-yl)carbamate
CID 155389174
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 65143138
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
tert-butyl N-[4-(4-methylphenoxy)thieno[2,3-c]pyridin-2-yl]carbamate
CID 143138189
tert-butyl N-[4-(4-oxobut-1-enyl)thiophen-2-yl]carbamate
CID 170482783

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-bromothieno[3,2-b]thiophen-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-bromothieno[3,2-b]thiophen-2-yl)carbamate (CID 59015272) is tert-butyl N-(5-bromothieno[3,2-b]thiophen-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-bromothieno[3,2-b]thiophen-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-bromothieno[3,2-b]thiophen-2-yl)carbamate is CC(C)(C)OC(=O)Nc1cc2sc(Br)cc2s1.
What is the InChIKey of tert-butyl N-(5-bromothieno[3,2-b]thiophen-2-yl)carbamate?
The InChIKey is XLHKHWNGQHGNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2S2/c1-11(2,3)15-10(14)13-9-5-7-6(17-9)4-8(12)16-7/h4-5H,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(5-bromothieno[3,2-b]thiophen-2-yl)carbamate?
tert-butyl N-(5-bromothieno[3,2-b]thiophen-2-yl)carbamate has a molecular weight of 334.26 g/mol, XLogP of 5.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-bromothieno[3,2-b]thiophen-2-yl)carbamate is sourced from PubChem (CID 59015272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).