Home Other Building Blocks 4-(tert-butylsulfanyl)benzene-1-carbothioamide

4-(tert-butylsulfanyl)benzene-1-carbothioamide

CAS No.:
1423026-18-9
Catalog Number:
AG01A21N
Molecular Formula:
C11H15NS2
Molecular Weight:
225.3735
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Product Description
Catalog Number:
AG01A21N
Chemical Name:
4-(tert-butylsulfanyl)benzene-1-carbothioamide
CAS Number:
1423026-18-9
Molecular Formula:
C11H15NS2
Molecular Weight:
225.3735
MDL Number:
MFCD22566014
IUPAC Name:
4-tert-butylsulfanylbenzenecarbothioamide
InChI:
InChI=1S/C11H15NS2/c1-11(2,3)14-9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H2,12,13)
InChI Key:
ZCUKPGVHPVCYSK-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccc(cc1)SC(C)(C)C
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.065g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.368g/mol
Monoisotopic Mass:
225.065g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties