Name: Name:5-[(oxolan-2-ylmethyl)amino]-1,3,4-thiadiazole-2-thiol
Brand: Angene
SKU: AG019ORQ
Rating: 90 (10 reviews)

5-[(oxolan-2-ylmethyl)amino]-1,3,4-thiadiazole-2-thiol

CAS No.:

871673-10-8

Catalog Number:

AG019ORQ

Molecular Formula:

C7H11N3OS2

Molecular Weight:

217.3117

Catalog Number:

AG019ORQ

Chemical Name:

5-[(oxolan-2-ylmethyl)amino]-1,3,4-thiadiazole-2-thiol

CAS Number:

871673-10-8

Molecular Formula:

C7H11N3OS2

Molecular Weight:

217.3117

MDL Number:

MFCD07366449

IUPAC Name:

5-(oxolan-2-ylmethylamino)-3H-1,3,4-thiadiazole-2-thione

InChI:

InChI=1S/C7H11N3OS2/c12-7-10-9-6(13-7)8-4-5-2-1-3-11-5/h5H,1-4H2,(H,8,9)(H,10,12)

InChI Key:

WIFSGOAHPPGXIL-UHFFFAOYSA-N

SMILES:

Sc1nnc(s1)NCC1CCCO1

Complexity:

244

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

217.034g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.305g/mol

Monoisotopic Mass:

217.034g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1