Name: Name:2-AMINO-5-(3-METHYLBENZYLTHIO)-1,3,4-THIADIAZOLE
Brand: Angene
SKU: AG00C3PC
Rating: 90 (10 reviews)

2-AMINO-5-(3-METHYLBENZYLTHIO)-1,3,4-THIADIAZOLE

CAS No.:

299442-42-5

Catalog Number:

AG00C3PC

Molecular Formula:

C10H11N3S2

Molecular Weight:

237.3444

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Product Description

Catalog Number:

AG00C3PC

Chemical Name:

2-AMINO-5-(3-METHYLBENZYLTHIO)-1,3,4-THIADIAZOLE

CAS Number:

299442-42-5

Molecular Formula:

C10H11N3S2

Molecular Weight:

237.3444

MDL Number:

MFCD00448333

IUPAC Name:

5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

InChI:

InChI=1S/C10H11N3S2/c1-7-3-2-4-8(5-7)6-14-10-13-12-9(11)15-10/h2-5H,6H2,1H3,(H2,11,12)

InChI Key:

IGGNLNYRCDYOLB-UHFFFAOYSA-N

SMILES:

Cc1cccc(c1)CSc1nnc(s1)N

Properties

Complexity:

203

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.039g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.339g/mol

Monoisotopic Mass:

237.039g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

105A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
Synthesis of 2-amino-5-sulfanyl-1,3,4-thiadiazole derivatives and evaluation of their antidepressant and anxiolytic activity.	Journal of medicinal chemistry 20010315

Properties