(3,6-dichloro-1-benzothiophen-2-yl)methanamine

C9H7Cl2NS — CID 82363899

IUPAC(3,6-dichloro-1-benzothiophen-2-yl)methanamine
SMILESNCc1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C9H7Cl2NS/c10-5-1-2-6-7(3-5)13-8(4-12)9(6)11/h1-3H,4,12H2
InChIKeyQUVXLJKZVSRMSL-UHFFFAOYSA-N
MW232.14 g/mol
LogP3.67
Rot. Bonds1

About (3,6-dichloro-1-benzothiophen-2-yl)methanamine

(3,6-dichloro-1-benzothiophen-2-yl)methanamine (PubChem CID 82363899) has the molecular formula C9H7Cl2NS and a molecular weight of 232.14 g/mol. Its IUPAC name is (3,6-dichloro-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3,6-dichloro-1-benzothiophen-2-yl)methanamine
PubChem CID82363899
Molecular FormulaC9H7Cl2NS
Molecular Weight232.14 g/mol
Exact Mass230.97
IUPAC Name(3,6-dichloro-1-benzothiophen-2-yl)methanamine
SMILESNCc1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C9H7Cl2NS/c10-5-1-2-6-7(3-5)13-8(4-12)9(6)11/h1-3H,4,12H2
InChIKeyQUVXLJKZVSRMSL-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dichloro-2-iodo-1-benzothiophene
CID 131138112
3,6-dichloro-2-methyl-1-benzothiophene;ethane
CID 144669158
2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole
CID 12549782
N-(3-aminopropyl)-3,6-dichloro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119408040
3,6-dichloro-N-(4-chlorophenyl)-1-benzothiophen-2-amine
CID 16639290
N-(2-amino-2-oxoethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide
CID 60675704
7-chlorodibenzothiophen-2-amine
CID 21439881
2,6-dichloro-3-methylsulfanyl-1-benzothiophene
CID 131223527
3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 47099946
2-(bromomethyl)-3-chloro-1-benzothiophene-6-carbaldehyde
CID 130961260
[3-(aminomethyl)pyrrolidin-1-yl]-(3,6-dichloro-1-benzothiophen-2-yl)methanone
CID 119486356
[3-[(2,5-dichlorophenoxy)methyl]-1-benzothiophen-2-yl]methanamine
CID 63498551

Frequently Asked Questions

What is the IUPAC name of (3,6-dichloro-1-benzothiophen-2-yl)methanamine?
The IUPAC name of (3,6-dichloro-1-benzothiophen-2-yl)methanamine (CID 82363899) is (3,6-dichloro-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for (3,6-dichloro-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for (3,6-dichloro-1-benzothiophen-2-yl)methanamine is NCc1sc2cc(Cl)ccc2c1Cl.
What is the InChIKey of (3,6-dichloro-1-benzothiophen-2-yl)methanamine?
The InChIKey is QUVXLJKZVSRMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NS/c10-5-1-2-6-7(3-5)13-8(4-12)9(6)11/h1-3H,4,12H2.
What are the key properties of (3,6-dichloro-1-benzothiophen-2-yl)methanamine?
(3,6-dichloro-1-benzothiophen-2-yl)methanamine has a molecular weight of 232.14 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dichloro-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 82363899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).