[5-(1-benzothiophen-2-yl)-2-ethylsulfanylphenyl]azanium

C16H16NS2+ — CID 163528425

IUPAC[5-(1-benzothiophen-2-yl)-2-ethylsulfanylphenyl]azanium
SMILESCCSc1ccc(-c2cc3ccccc3s2)cc1[NH3+]
InChIInChI=1S/C16H15NS2/c1-2-18-15-8-7-12(9-13(15)17)16-10-11-5-3-4-6-14(11)19-16/h3-10H,2,17H2,1H3/p+1
InChIKeyDQVQLUDORWCTLC-UHFFFAOYSA-O
MW286.45 g/mol
LogP4.55
Rot. Bonds3

About [5-(1-benzothiophen-2-yl)-2-ethylsulfanylphenyl]azanium

[5-(1-benzothiophen-2-yl)-2-ethylsulfanylphenyl]azanium (PubChem CID 163528425) has the molecular formula C16H16NS2+ and a molecular weight of 286.45 g/mol. Its IUPAC name is [5-(1-benzothiophen-2-yl)-2-ethylsulfanylphenyl]azanium.

Molecular Properties

Compound Name[5-(1-benzothiophen-2-yl)-2-ethylsulfanylphenyl]azanium
PubChem CID163528425
Molecular FormulaC16H16NS2+
Molecular Weight286.45 g/mol
Exact Mass286.07
IUPAC Name[5-(1-benzothiophen-2-yl)-2-ethylsulfanylphenyl]azanium
SMILESCCSc1ccc(-c2cc3ccccc3s2)cc1[NH3+]
InChIInChI=1S/C16H15NS2/c1-2-18-15-8-7-12(9-13(15)17)16-10-11-5-3-4-6-14(11)19-16/h3-10H,2,17H2,1H3/p+1
InChIKeyDQVQLUDORWCTLC-UHFFFAOYSA-O
XLogP4.55
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(1-benzothiophen-2-yl)-2-ethylsulfanylphenyl]azanium?
The IUPAC name of [5-(1-benzothiophen-2-yl)-2-ethylsulfanylphenyl]azanium (CID 163528425) is [5-(1-benzothiophen-2-yl)-2-ethylsulfanylphenyl]azanium.
What is the SMILES notation for [5-(1-benzothiophen-2-yl)-2-ethylsulfanylphenyl]azanium?
The canonical SMILES for [5-(1-benzothiophen-2-yl)-2-ethylsulfanylphenyl]azanium is CCSc1ccc(-c2cc3ccccc3s2)cc1[NH3+].
What is the InChIKey of [5-(1-benzothiophen-2-yl)-2-ethylsulfanylphenyl]azanium?
The InChIKey is DQVQLUDORWCTLC-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H15NS2/c1-2-18-15-8-7-12(9-13(15)17)16-10-11-5-3-4-6-14(11)19-16/h3-10H,2,17H2,1H3/p+1.
What are the key properties of [5-(1-benzothiophen-2-yl)-2-ethylsulfanylphenyl]azanium?
[5-(1-benzothiophen-2-yl)-2-ethylsulfanylphenyl]azanium has a molecular weight of 286.45 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzothiophen-2-yl)-2-ethylsulfanylphenyl]azanium is sourced from PubChem (CID 163528425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).