6-chloro-2-ethyl-1-benzothiophen-5-amine

C10H10ClNS — CID 130805171

IUPAC6-chloro-2-ethyl-1-benzothiophen-5-amine
SMILESCCc1cc2cc(N)c(Cl)cc2s1
InChIInChI=1S/C10H10ClNS/c1-2-7-3-6-4-9(12)8(11)5-10(6)13-7/h3-5H,2,12H2,1H3
InChIKeyPPVSYGNFBBICHF-UHFFFAOYSA-N
MW211.72 g/mol
LogP3.70
Rot. Bonds1

About 6-chloro-2-ethyl-1-benzothiophen-5-amine

6-chloro-2-ethyl-1-benzothiophen-5-amine (PubChem CID 130805171) has the molecular formula C10H10ClNS and a molecular weight of 211.72 g/mol. Its IUPAC name is 6-chloro-2-ethyl-1-benzothiophen-5-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-1-benzothiophen-5-amine
PubChem CID130805171
Molecular FormulaC10H10ClNS
Molecular Weight211.72 g/mol
Exact Mass211.02
IUPAC Name6-chloro-2-ethyl-1-benzothiophen-5-amine
SMILESCCc1cc2cc(N)c(Cl)cc2s1
InChIInChI=1S/C10H10ClNS/c1-2-7-3-6-4-9(12)8(11)5-10(6)13-7/h3-5H,2,12H2,1H3
InChIKeyPPVSYGNFBBICHF-UHFFFAOYSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.72
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,6-diethyl-1-benzothiophen-5-amine
CID 130914459
5-(bromomethyl)-6-chloro-2-ethyl-1-benzothiophene
CID 131014328
6-chloro-2-nitro-1-benzothiophen-5-amine
CID 130792093
2-ethyl-5-iodo-1-benzothiophene-6-thiol
CID 130961893
(2-ethyl-1-benzothiophen-6-yl)methanamine
CID 84663632
6-chloro-5-methyl-1-benzothiophen-2-amine
CID 130805490
5-ethyl-2-methylthiophen-3-amine
CID 123752198
2-ethyl-6-hydroxy-1-benzothiophene-5-carbonitrile
CID 130877320
5-amino-2-(bromomethyl)-1-benzothiophene-6-thiol
CID 130805471
6-(chloromethyl)-5-ethyl-1-benzothiophen-2-amine
CID 130866214
6-(chloromethyl)-1-benzothiophene-2,5-diamine
CID 130788528
6-chloro-5-ethyl-1,3-benzothiazol-2-amine
CID 170435006

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-1-benzothiophen-5-amine?
The IUPAC name of 6-chloro-2-ethyl-1-benzothiophen-5-amine (CID 130805171) is 6-chloro-2-ethyl-1-benzothiophen-5-amine.
What is the SMILES notation for 6-chloro-2-ethyl-1-benzothiophen-5-amine?
The canonical SMILES for 6-chloro-2-ethyl-1-benzothiophen-5-amine is CCc1cc2cc(N)c(Cl)cc2s1.
What is the InChIKey of 6-chloro-2-ethyl-1-benzothiophen-5-amine?
The InChIKey is PPVSYGNFBBICHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNS/c1-2-7-3-6-4-9(12)8(11)5-10(6)13-7/h3-5H,2,12H2,1H3.
What are the key properties of 6-chloro-2-ethyl-1-benzothiophen-5-amine?
6-chloro-2-ethyl-1-benzothiophen-5-amine has a molecular weight of 211.72 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-1-benzothiophen-5-amine is sourced from PubChem (CID 130805171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).