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1314936-03-2 | Benzenecarbothioamide, 3-(1,1-dimethylethyl)-
CAS No: 1314936-03-2 Catalog No: AG000WBI MDL No:MFCD09757533
Product Description
Catalog Number:
AG000WBI
Chemical Name:
Benzenecarbothioamide, 3-(1,1-dimethylethyl)-
CAS Number:
1314936-03-2
Molecular Formula:
C11H15NS
Molecular Weight:
193.3085
MDL Number:
MFCD09757533
IUPAC Name:
3-tert-butylbenzenecarbothioamide
InChI:
InChI=1S/C11H15NS/c1-11(2,3)9-6-4-5-8(7-9)10(12)13/h4-7H,1-3H3,(H2,12,13)
InChI Key:
VRVYIIASIHOGIN-UHFFFAOYSA-N
SMILES:
NC(=S)c1cccc(c1)C(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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