Home Other Building Blocks (5-tert-butyl-1,3,4-thiadiazol-2-yl)methanol

(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanol

CAS No.:
1256240-31-9
Catalog Number:
AG01BHA1
Molecular Formula:
C7H12N2OS
Molecular Weight:
172.2480
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Product Description
Catalog Number:
AG01BHA1
Chemical Name:
(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanol
CAS Number:
1256240-31-9
Molecular Formula:
C7H12N2OS
Molecular Weight:
172.2480
MDL Number:
MFCD19981628
IUPAC Name:
(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanol
InChI:
InChI=1S/C7H12N2OS/c1-7(2,3)6-9-8-5(4-10)11-6/h10H,4H2,1-3H3
InChI Key:
RAYXTVJCMQSMMO-UHFFFAOYSA-N
SMILES:
OCc1nnc(s1)C(C)(C)C
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.067g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.246g/mol
Monoisotopic Mass:
172.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties