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1314934-69-4 | Benzenecarbothioamide, 2-(1,1-dimethylethyl)-
CAS No: 1314934-69-4 Catalog No: AG000WBK MDL No:MFCD09757532
Product Description
Catalog Number:
AG000WBK
Chemical Name:
Benzenecarbothioamide, 2-(1,1-dimethylethyl)-
CAS Number:
1314934-69-4
Molecular Formula:
C11H15NS
Molecular Weight:
193.3085
MDL Number:
MFCD09757532
IUPAC Name:
2-tert-butylbenzenecarbothioamide
InChI:
InChI=1S/C11H15NS/c1-11(2,3)9-7-5-4-6-8(9)10(12)13/h4-7H,1-3H3,(H2,12,13)
InChI Key:
QCLARGTWZRYWDZ-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccccc1C(C)(C)C
Properties
Complexity:
193
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
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