2-phenylthiophen-3-amine

C10H9NS — CID 18925395

IUPAC2-phenylthiophen-3-amine
SMILESNc1ccsc1-c1ccccc1
InChIInChI=1S/C10H9NS/c11-9-6-7-12-10(9)8-4-2-1-3-5-8/h1-7H,11H2
InChIKeyCRDIHPHMWBEZEO-UHFFFAOYSA-N
MW175.26 g/mol
LogP3.00
Rot. Bonds1

About 2-phenylthiophen-3-amine

2-phenylthiophen-3-amine (PubChem CID 18925395) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 2-phenylthiophen-3-amine.

Molecular Properties

Compound Name2-phenylthiophen-3-amine
PubChem CID18925395
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name2-phenylthiophen-3-amine
SMILESNc1ccsc1-c1ccccc1
InChIInChI=1S/C10H9NS/c11-9-6-7-12-10(9)8-4-2-1-3-5-8/h1-7H,11H2
InChIKeyCRDIHPHMWBEZEO-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Benzylthio)aniline
CID 80616
4-(Thiophen-2-yl)benzene-1,2-diamine
CID 13007805
4-(5-(4-Aminophenyl)thiophen-2-yl)benzenamine
CID 21788024
4-(Thiophen-2-yl)aniline
CID 1072474
4-Thiophen-3-ylbenzene-1,2-diamine
CID 13007806
1-Benzothiophen-6-amine
CID 220591
Benzo(b)thiophen-4-ylamine
CID 298484
3-Amino-5-(4-fluorophenyl)thiophene-2-carbonitrile
CID 2735894
Benzo(b)thiophen-5-amine
CID 288032
4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]aniline
CID 53330119
3-(Thiophen-2-yl)aniline
CID 2794681
4-(Thiophen-3-yl)aniline
CID 4130336

Frequently Asked Questions

What is the IUPAC name of 2-phenylthiophen-3-amine?
The IUPAC name of 2-phenylthiophen-3-amine (CID 18925395) is 2-phenylthiophen-3-amine.
What is the SMILES notation for 2-phenylthiophen-3-amine?
The canonical SMILES for 2-phenylthiophen-3-amine is Nc1ccsc1-c1ccccc1.
What is the InChIKey of 2-phenylthiophen-3-amine?
The InChIKey is CRDIHPHMWBEZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c11-9-6-7-12-10(9)8-4-2-1-3-5-8/h1-7H,11H2.
What are the key properties of 2-phenylthiophen-3-amine?
2-phenylthiophen-3-amine has a molecular weight of 175.26 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylthiophen-3-amine is sourced from PubChem (CID 18925395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).