1-benzothiophen-2-ylmethyl carbamate

C10H9NO2S — CID 142108270

IUPAC1-benzothiophen-2-ylmethyl carbamate
SMILESNC(=O)OCc1cc2ccccc2s1
InChIInChI=1S/C10H9NO2S/c11-10(12)13-6-8-5-7-3-1-2-4-9(7)14-8/h1-5H,6H2,(H2,11,12)
InChIKeyCPUIXVBCOVAAMJ-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.50
Rot. Bonds2

About 1-benzothiophen-2-ylmethyl carbamate

1-benzothiophen-2-ylmethyl carbamate (PubChem CID 142108270) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-benzothiophen-2-ylmethyl carbamate.

Molecular Properties

Compound Name1-benzothiophen-2-ylmethyl carbamate
PubChem CID142108270
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name1-benzothiophen-2-ylmethyl carbamate
SMILESNC(=O)OCc1cc2ccccc2s1
InChIInChI=1S/C10H9NO2S/c11-10(12)13-6-8-5-7-3-1-2-4-9(7)14-8/h1-5H,6H2,(H2,11,12)
InChIKeyCPUIXVBCOVAAMJ-UHFFFAOYSA-N
XLogP2.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-ylmethyl carbamate?
The IUPAC name of 1-benzothiophen-2-ylmethyl carbamate (CID 142108270) is 1-benzothiophen-2-ylmethyl carbamate.
What is the SMILES notation for 1-benzothiophen-2-ylmethyl carbamate?
The canonical SMILES for 1-benzothiophen-2-ylmethyl carbamate is NC(=O)OCc1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-ylmethyl carbamate?
The InChIKey is CPUIXVBCOVAAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c11-10(12)13-6-8-5-7-3-1-2-4-9(7)14-8/h1-5H,6H2,(H2,11,12).
What are the key properties of 1-benzothiophen-2-ylmethyl carbamate?
1-benzothiophen-2-ylmethyl carbamate has a molecular weight of 207.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-ylmethyl carbamate is sourced from PubChem (CID 142108270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).