tert-butyl N-(2-bromo-5-chlorothiophen-3-yl)carbamate

C9H11BrClNO2S — CID 155388751

IUPACtert-butyl N-(2-bromo-5-chlorothiophen-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(Cl)sc1Br
InChIInChI=1S/C9H11BrClNO2S/c1-9(2,3)14-8(13)12-5-4-6(11)15-7(5)10/h4H,1-3H3,(H,12,13)
InChIKeyLDKMXUCMDHQJNN-UHFFFAOYSA-N
MW312.62 g/mol
LogP4.51
Rot. Bonds1

About tert-butyl N-(2-bromo-5-chlorothiophen-3-yl)carbamate

tert-butyl N-(2-bromo-5-chlorothiophen-3-yl)carbamate (PubChem CID 155388751) has the molecular formula C9H11BrClNO2S and a molecular weight of 312.62 g/mol. Its IUPAC name is tert-butyl N-(2-bromo-5-chlorothiophen-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-bromo-5-chlorothiophen-3-yl)carbamate
PubChem CID155388751
Molecular FormulaC9H11BrClNO2S
Molecular Weight312.62 g/mol
Exact Mass310.94
IUPAC Nametert-butyl N-(2-bromo-5-chlorothiophen-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(Cl)sc1Br
InChIInChI=1S/C9H11BrClNO2S/c1-9(2,3)14-8(13)12-5-4-6(11)15-7(5)10/h4H,1-3H3,(H,12,13)
InChIKeyLDKMXUCMDHQJNN-UHFFFAOYSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.62
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-bromo-5-ethenylthiophen-3-yl)carbamate
CID 155389174
tert-butyl N-(5-chlorothiophen-2-yl)carbamate
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tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate
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tert-butyl N-(2-bromo-5-chloro-4-fluorophenyl)carbamate
CID 69110389
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228
tert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate
CID 90341107
[5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium
CID 144745130
tert-butyl N-(2-bromo-4-methylsulfanylphenyl)carbamate
CID 167736245
tert-butyl N-[2-(4-bromobenzoyl)-4-chlorophenyl]carbamate
CID 59346594
5-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
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tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-bromo-5-chlorothiophen-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2-bromo-5-chlorothiophen-3-yl)carbamate (CID 155388751) is tert-butyl N-(2-bromo-5-chlorothiophen-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-bromo-5-chlorothiophen-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-bromo-5-chlorothiophen-3-yl)carbamate is CC(C)(C)OC(=O)Nc1cc(Cl)sc1Br.
What is the InChIKey of tert-butyl N-(2-bromo-5-chlorothiophen-3-yl)carbamate?
The InChIKey is LDKMXUCMDHQJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2S/c1-9(2,3)14-8(13)12-5-4-6(11)15-7(5)10/h4H,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-(2-bromo-5-chlorothiophen-3-yl)carbamate?
tert-butyl N-(2-bromo-5-chlorothiophen-3-yl)carbamate has a molecular weight of 312.62 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-bromo-5-chlorothiophen-3-yl)carbamate is sourced from PubChem (CID 155388751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).