Name: Name:3H-1,2,4-Triazole-3-thione,4-amino-2,4-dihydro-5-(1-methylethyl)-(9CI)
Brand: Angene
SKU: AG00B35P
Rating: 90 (10 reviews)

3H-1,2,4-Triazole-3-thione,4-amino-2,4-dihydro-5-(1-methylethyl)-(9CI)

CAS No.:

154200-56-3

Catalog Number:

AG00B35P

Molecular Formula:

C5H10N4S

Molecular Weight:

158.2247

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Product Description

Catalog Number:

AG00B35P

Chemical Name:

3H-1,2,4-Triazole-3-thione,4-amino-2,4-dihydro-5-(1-methylethyl)-(9CI)

CAS Number:

154200-56-3

Molecular Formula:

C5H10N4S

Molecular Weight:

158.2247

MDL Number:

MFCD03025742

IUPAC Name:

4-amino-3-propan-2-yl-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C5H10N4S/c1-3(2)4-7-8-5(10)9(4)6/h3H,6H2,1-2H3,(H,8,10)

InChI Key:

UKHPTMIZKBTYKD-UHFFFAOYSA-N

SMILES:

CC(c1nnc(n1N)S)C

Properties

Complexity:

186

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

158.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

158.223g/mol

Monoisotopic Mass:

158.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties