[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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Related Compounds

2-chrysen-2-yl-1-benzothiophene
CID 58362123
CID 59413459
CID 59413459
4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline
CID 58636103
N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164744811
N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59720610
4-(1-benzothiophen-2-yl)-2-ethoxybenzaldehyde
CID 172649921
2-[4-(1-benzothiophen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146183527
N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline;N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;4-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 158392817
5-(1-benzothiophen-2-yl)-1H-indole
CID 53408080
2-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1-benzothiophene
CID 59866469
2-(1-benzothiophen-2-yl)-9H-carbazole
CID 142748713
2-(22-naphthalen-2-yl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenyl)-1-benzothiophene
CID 59413455

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).