Home Other Building Blocks 2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]ethan-1-amine

2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]ethan-1-amine

CAS No.:
1228994-92-0
Catalog Number:
AG01AL42
Molecular Formula:
C7H13N3S
Molecular Weight:
171.2632
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Product Description
Catalog Number:
AG01AL42
Chemical Name:
2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]ethan-1-amine
CAS Number:
1228994-92-0
Molecular Formula:
C7H13N3S
Molecular Weight:
171.2632
MDL Number:
MFCD19347355
IUPAC Name:
2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanamine
InChI:
InChI=1S/C7H13N3S/c1-5(2)7-10-9-6(11-7)3-4-8/h5H,3-4,8H2,1-2H3
InChI Key:
ZNVFAPPTMRCUQY-UHFFFAOYSA-N
SMILES:
NCCc1nnc(s1)C(C)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:
0.9  
Properties