1-(2,5-dichlorothiophen-3-yl)prop-2-yn-1-amine

C7H5Cl2NS — CID 107968460

IUPAC1-(2,5-dichlorothiophen-3-yl)prop-2-yn-1-amine
SMILESC#CC(N)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H5Cl2NS/c1-2-5(10)4-3-6(8)11-7(4)9/h1,3,5H,10H2
InChIKeyBSZJLJBDNXUREB-UHFFFAOYSA-N
MW206.10 g/mol
LogP2.69
Rot. Bonds1

About 1-(2,5-dichlorothiophen-3-yl)prop-2-yn-1-amine

1-(2,5-dichlorothiophen-3-yl)prop-2-yn-1-amine (PubChem CID 107968460) has the molecular formula C7H5Cl2NS and a molecular weight of 206.10 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)prop-2-yn-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)prop-2-yn-1-amine
PubChem CID107968460
Molecular FormulaC7H5Cl2NS
Molecular Weight206.10 g/mol
Exact Mass204.95
IUPAC Name1-(2,5-dichlorothiophen-3-yl)prop-2-yn-1-amine
SMILESC#CC(N)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H5Cl2NS/c1-2-5(10)4-3-6(8)11-7(4)9/h1,3,5H,10H2
InChIKeyBSZJLJBDNXUREB-UHFFFAOYSA-N
XLogP2.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.10
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 80536315
(1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine
CID 82758613
(2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 43344832
(1R)-1-(4-chloro-2-fluorophenyl)prop-2-yn-1-amine
CID 97000239
cyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine
CID 5201764
1-(5-chloro-2-fluorophenyl)prop-2-yn-1-amine
CID 114885910
2-chloro-2-(2,5-dichlorothiophen-3-yl)acetamide
CID 130673602
2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene
CID 63436827
(2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine
CID 43344864
1-(2,5-dichlorothiophen-3-yl)octan-1-amine
CID 43167354
cyclopenten-1-yl-(2,5-dichlorothiophen-3-yl)methanamine
CID 107960915
1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine
CID 114874213

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)prop-2-yn-1-amine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)prop-2-yn-1-amine (CID 107968460) is 1-(2,5-dichlorothiophen-3-yl)prop-2-yn-1-amine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)prop-2-yn-1-amine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)prop-2-yn-1-amine is C#CC(N)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)prop-2-yn-1-amine?
The InChIKey is BSZJLJBDNXUREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NS/c1-2-5(10)4-3-6(8)11-7(4)9/h1,3,5H,10H2.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)prop-2-yn-1-amine?
1-(2,5-dichlorothiophen-3-yl)prop-2-yn-1-amine has a molecular weight of 206.10 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)prop-2-yn-1-amine is sourced from PubChem (CID 107968460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).