Name: Name:2(3H)-Benzoxazolethione, 6-nitro-
Brand: Angene
SKU: AG001KV2
Rating: 90 (10 reviews)

2(3H)-Benzoxazolethione, 6-nitro-

CAS No.:

14541-93-6

Catalog Number:

AG001KV2

Molecular Formula:

C7H4N2O3S

Molecular Weight:

196.1833

Catalog Number:

AG001KV2

Chemical Name:

2(3H)-Benzoxazolethione, 6-nitro-

CAS Number:

14541-93-6

Molecular Formula:

C7H4N2O3S

Molecular Weight:

196.1833

MDL Number:

MFCD02725449

IUPAC Name:

6-nitro-3H-1,3-benzoxazole-2-thione

InChI:

InChI=1S/C7H4N2O3S/c10-9(11)4-1-2-5-6(3-4)12-7(13)8-5/h1-3H,(H,8,13)

InChI Key:

GCVNWXZRBBCASB-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc2c(c1)oc(=S)[nH]2

Complexity:

253

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.994g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

196.18g/mol

Monoisotopic Mass:

195.994g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

99.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6