Home Other Building Blocks 4-(TERT-BUTYL)BENZENE-1-CARBOTHIOAMIDE

4-(TERT-BUTYL)BENZENE-1-CARBOTHIOAMIDE

CAS No.:
57774-77-3
Catalog Number:
AG003KAL
Molecular Formula:
C11H15NS
Molecular Weight:
193.3085
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Product Description
Catalog Number:
AG003KAL
Chemical Name:
4-(TERT-BUTYL)BENZENE-1-CARBOTHIOAMIDE
CAS Number:
57774-77-3
Molecular Formula:
C11H15NS
Molecular Weight:
193.3085
MDL Number:
MFCD00052485
IUPAC Name:
4-tert-butylbenzenecarbothioamide
InChI:
InChI=1S/C11H15NS/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H2,12,13)
InChI Key:
HZODWYBXBKXJLB-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.093g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.308g/mol
Monoisotopic Mass:
193.093g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties