Name: Name:5-(Cyclopropylamino)-1,3,4-thiadiazole-2-thiol
Brand: Angene
SKU: AG00IDLS
Rating: 90 (10 reviews)

5-(Cyclopropylamino)-1,3,4-thiadiazole-2-thiol

CAS No.:

852400-37-4

Catalog Number:

AG00IDLS

Molecular Formula:

C5H7N3S2

Molecular Weight:

173.2592

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Product Description

Catalog Number:

AG00IDLS

Chemical Name:

5-(Cyclopropylamino)-1,3,4-thiadiazole-2-thiol

CAS Number:

852400-37-4

Molecular Formula:

C5H7N3S2

Molecular Weight:

173.2592

MDL Number:

MFCD06655524

IUPAC Name:

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

InChI:

InChI=1S/C5H7N3S2/c9-5-8-7-4(10-5)6-3-1-2-3/h3H,1-2H2,(H,6,7)(H,8,9)

InChI Key:

RBPGSAZBLLEDHB-UHFFFAOYSA-N

SMILES:

Sc1nnc(s1)NC1CC1

Properties

Complexity:

197

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

173.008g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

173.252g/mol

Monoisotopic Mass:

173.008g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

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