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Home Aminos 1,3,4-Thiadiazole-2(3H)-thione, 5-[(2-methylpropyl)amino]-

1,3,4-Thiadiazole-2(3H)-thione, 5-[(2-methylpropyl)amino]-

CAS No.:
66180-54-9
Catalog Number:
AG00IBKJ
Molecular Formula:
C6H11N3S2
Molecular Weight:
189.3016
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Product Description
Catalog Number:
AG00IBKJ
Chemical Name:
1,3,4-Thiadiazole-2(3H)-thione, 5-[(2-methylpropyl)amino]-
CAS Number:
66180-54-9
Molecular Formula:
C6H11N3S2
Molecular Weight:
189.3016
MDL Number:
MFCD07366419
IUPAC Name:
5-(2-methylpropylamino)-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C6H11N3S2/c1-4(2)3-7-5-8-9-6(10)11-5/h4H,3H2,1-2H3,(H,7,8)(H,9,10)
InChI Key:
PNMTZZAQALWEPL-UHFFFAOYSA-N
SMILES:
CC(CNc1nnc(s1)S)C
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.039g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.295g/mol
Monoisotopic Mass:
189.039g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
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