Home Other Building Blocks 5-(3-methylbutyl)-1,3,4-thiadiazol-2-amine

5-(3-methylbutyl)-1,3,4-thiadiazol-2-amine

CAS No.:
98338-02-4
Catalog Number:
AG01B2RO
Molecular Formula:
C7H13N3S
Molecular Weight:
171.2632
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Product Description
Catalog Number:
AG01B2RO
Chemical Name:
5-(3-methylbutyl)-1,3,4-thiadiazol-2-amine
CAS Number:
98338-02-4
Molecular Formula:
C7H13N3S
Molecular Weight:
171.2632
MDL Number:
MFCD02940415
IUPAC Name:
5-(3-methylbutyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C7H13N3S/c1-5(2)3-4-6-9-10-7(8)11-6/h5H,3-4H2,1-2H3,(H2,8,10)
InChI Key:
AOYGJEMOZAPTBQ-UHFFFAOYSA-N
SMILES:
CC(CCc1nnc(s1)N)C
Properties
Complexity:
118  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.083g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.262g/mol
Monoisotopic Mass:
171.083g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties