2-(4-bromothiophen-2-yl)ethylcarbamic acid

C7H8BrNO2S — CID 67019053

IUPAC2-(4-bromothiophen-2-yl)ethylcarbamic acid
SMILESO=C(O)NCCc1cc(Br)cs1
InChIInChI=1S/C7H8BrNO2S/c8-5-3-6(12-4-5)1-2-9-7(10)11/h3-4,9H,1-2H2,(H,10,11)
InChIKeyLMDXKLRKZBTYEF-UHFFFAOYSA-N
MW250.12 g/mol
LogP2.32
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)ethylcarbamic acid

2-(4-bromothiophen-2-yl)ethylcarbamic acid (PubChem CID 67019053) has the molecular formula C7H8BrNO2S and a molecular weight of 250.12 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)ethylcarbamic acid
PubChem CID67019053
Molecular FormulaC7H8BrNO2S
Molecular Weight250.12 g/mol
Exact Mass248.95
IUPAC Name2-(4-bromothiophen-2-yl)ethylcarbamic acid
SMILESO=C(O)NCCc1cc(Br)cs1
InChIInChI=1S/C7H8BrNO2S/c8-5-3-6(12-4-5)1-2-9-7(10)11/h3-4,9H,1-2H2,(H,10,11)
InChIKeyLMDXKLRKZBTYEF-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate
CID 46739291
tert-Butyl (2-(5-bromothiophen-2-yl)ethyl)carbamate
CID 71819660
2-[4-Bromo-5-(3-fluorophenyl)sulfanylthiophen-2-yl]ethylcarbamic acid
CID 68924788
(5-Bromo-3-fluorothiophen-2-yl)methylcarbamic acid
CID 130344894
2-Thiophen-2-ylethylcarbamic acid
CID 15106739
tert-butyl N-[2-(4-bromothiophen-2-yl)ethyl]carbamate
CID 57984517
methyl N-[(4-bromothiophen-2-yl)methyl]carbamate
CID 61217670
N-[(4-bromothiophen-2-yl)methyl]formamide
CID 64991797
[1-(4-Bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]carbamic acid
CID 66591203
[2-(4-Bromo-thiophen-2-yl)-ethyl]-carbamic acid ethyl ester
CID 66801955
[2-(5-Bromo-thiophen-2-yl)-ethyl]-carbamic acid ethyl ester
CID 66803815
(4-Bromothiophen-2-yl)methyl-methylcarbamic acid
CID 67019051

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)ethylcarbamic acid?
The IUPAC name of 2-(4-bromothiophen-2-yl)ethylcarbamic acid (CID 67019053) is 2-(4-bromothiophen-2-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)ethylcarbamic acid?
The canonical SMILES for 2-(4-bromothiophen-2-yl)ethylcarbamic acid is O=C(O)NCCc1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)ethylcarbamic acid?
The InChIKey is LMDXKLRKZBTYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2S/c8-5-3-6(12-4-5)1-2-9-7(10)11/h3-4,9H,1-2H2,(H,10,11).
What are the key properties of 2-(4-bromothiophen-2-yl)ethylcarbamic acid?
2-(4-bromothiophen-2-yl)ethylcarbamic acid has a molecular weight of 250.12 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)ethylcarbamic acid is sourced from PubChem (CID 67019053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).