tert-butyl (5-chlorothiophen-2-yl)methyl carbonate

C10H13ClO3S — CID 175192164

IUPACtert-butyl (5-chlorothiophen-2-yl)methyl carbonate
SMILESCC(C)(C)OC(=O)OCc1ccc(Cl)s1
InChIInChI=1S/C10H13ClO3S/c1-10(2,3)14-9(12)13-6-7-4-5-8(11)15-7/h4-5H,6H2,1-3H3
InChIKeySKCZVCWVGXOLEA-UHFFFAOYSA-N
MW248.73 g/mol
LogP3.85
Rot. Bonds2

About tert-butyl (5-chlorothiophen-2-yl)methyl carbonate

tert-butyl (5-chlorothiophen-2-yl)methyl carbonate (PubChem CID 175192164) has the molecular formula C10H13ClO3S and a molecular weight of 248.73 g/mol. Its IUPAC name is tert-butyl (5-chlorothiophen-2-yl)methyl carbonate.

Molecular Properties

Compound Nametert-butyl (5-chlorothiophen-2-yl)methyl carbonate
PubChem CID175192164
Molecular FormulaC10H13ClO3S
Molecular Weight248.73 g/mol
Exact Mass248.03
IUPAC Nametert-butyl (5-chlorothiophen-2-yl)methyl carbonate
SMILESCC(C)(C)OC(=O)OCc1ccc(Cl)s1
InChIInChI=1S/C10H13ClO3S/c1-10(2,3)14-9(12)13-6-7-4-5-8(11)15-7/h4-5H,6H2,1-3H3
InChIKeySKCZVCWVGXOLEA-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-tert-butyl 4-O-[(5-chlorothiophen-2-yl)methyl] piperidine-1,4-dicarboxylate
CID 55392751
(2S)-2-[(5-chlorothiophen-2-yl)methoxy]propanoic acid
CID 104876424
(5-chlorothiophen-2-yl)methyl 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 55319076
tert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]propyl]carbamate
CID 107094658
(5-chlorothiophen-2-yl)methyl 2-amino-6-methylbenzoate
CID 61321921
(5-chlorothiophen-2-yl)methyl 4-formylbenzoate
CID 55313426
3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-one
CID 116611485
tert-butyl N-[4-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]carbamate
CID 107239497
(5-chlorothiophen-2-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 55640706
tert-butyl 2-amino-4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 83226237
tert-butyl N-[5-[(5-chlorothiophen-2-yl)methylamino]-2-pyridinyl]carbamate
CID 103823865
tert-butyl (4-methylphenyl)methyl carbonate
CID 25140703

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5-chlorothiophen-2-yl)methyl carbonate?
The IUPAC name of tert-butyl (5-chlorothiophen-2-yl)methyl carbonate (CID 175192164) is tert-butyl (5-chlorothiophen-2-yl)methyl carbonate.
What is the SMILES notation for tert-butyl (5-chlorothiophen-2-yl)methyl carbonate?
The canonical SMILES for tert-butyl (5-chlorothiophen-2-yl)methyl carbonate is CC(C)(C)OC(=O)OCc1ccc(Cl)s1.
What is the InChIKey of tert-butyl (5-chlorothiophen-2-yl)methyl carbonate?
The InChIKey is SKCZVCWVGXOLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3S/c1-10(2,3)14-9(12)13-6-7-4-5-8(11)15-7/h4-5H,6H2,1-3H3.
What are the key properties of tert-butyl (5-chlorothiophen-2-yl)methyl carbonate?
tert-butyl (5-chlorothiophen-2-yl)methyl carbonate has a molecular weight of 248.73 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5-chlorothiophen-2-yl)methyl carbonate is sourced from PubChem (CID 175192164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).