Name: Name:3-(thiophene-2-carbonyl)-4H-1,2,4-triazole
Brand: Angene
SKU: AG01AC1F
Rating: 90 (10 reviews)

3-(thiophene-2-carbonyl)-4H-1,2,4-triazole

CAS No.:

1482169-30-1

Catalog Number:

AG01AC1F

Molecular Formula:

C7H5N3OS

Molecular Weight:

179.1991

Catalog Number:

AG01AC1F

Chemical Name:

3-(thiophene-2-carbonyl)-4H-1,2,4-triazole

CAS Number:

1482169-30-1

Molecular Formula:

C7H5N3OS

Molecular Weight:

179.1991

MDL Number:

MFCD21194702

IUPAC Name:

thiophen-2-yl(1H-1,2,4-triazol-5-yl)methanone

InChI:

InChI=1S/C7H5N3OS/c11-6(5-2-1-3-12-5)7-8-4-9-10-7/h1-4H,(H,8,9,10)

InChI Key:

SWFTXUTZGWHBHF-UHFFFAOYSA-N

SMILES:

O=C(c1nnc[nH]1)c1cccs1

Complexity:

188

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.015g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.197g/mol

Monoisotopic Mass:

179.015g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7