bis(thiophen-2-ylmethyl)carbamic acid

C11H11NO2S2 — CID 68904269

IUPACbis(thiophen-2-ylmethyl)carbamic acid
SMILESO=C(O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C11H11NO2S2/c13-11(14)12(7-9-3-1-5-15-9)8-10-4-2-6-16-10/h1-6H,7-8H2,(H,13,14)
InChIKeySNBFKFGZVPBMII-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.49
Rot. Bonds4

About bis(thiophen-2-ylmethyl)carbamic acid

bis(thiophen-2-ylmethyl)carbamic acid (PubChem CID 68904269) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is bis(thiophen-2-ylmethyl)carbamic acid.

Molecular Properties

Compound Namebis(thiophen-2-ylmethyl)carbamic acid
PubChem CID68904269
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Namebis(thiophen-2-ylmethyl)carbamic acid
SMILESO=C(O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C11H11NO2S2/c13-11(14)12(7-9-3-1-5-15-9)8-10-4-2-6-16-10/h1-6H,7-8H2,(H,13,14)
InChIKeySNBFKFGZVPBMII-UHFFFAOYSA-N
XLogP3.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(thiophen-2-ylmethyl)carbamic acid?
The IUPAC name of bis(thiophen-2-ylmethyl)carbamic acid (CID 68904269) is bis(thiophen-2-ylmethyl)carbamic acid.
What is the SMILES notation for bis(thiophen-2-ylmethyl)carbamic acid?
The canonical SMILES for bis(thiophen-2-ylmethyl)carbamic acid is O=C(O)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of bis(thiophen-2-ylmethyl)carbamic acid?
The InChIKey is SNBFKFGZVPBMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c13-11(14)12(7-9-3-1-5-15-9)8-10-4-2-6-16-10/h1-6H,7-8H2,(H,13,14).
What are the key properties of bis(thiophen-2-ylmethyl)carbamic acid?
bis(thiophen-2-ylmethyl)carbamic acid has a molecular weight of 253.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(thiophen-2-ylmethyl)carbamic acid is sourced from PubChem (CID 68904269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).