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847853-32-1 | 3-tert-butyl-1-[2-(1H-indol-3-yl)ethyl]thiourea
CAS No: 847853-32-1 Catalog No: AG00IVCC MDL No:MFCD02662132
Product Description
Catalog Number:
AG00IVCC
Chemical Name:
3-tert-butyl-1-[2-(1H-indol-3-yl)ethyl]thiourea
CAS Number:
847853-32-1
Molecular Formula:
C15H21N3S
Molecular Weight:
275.4123
MDL Number:
MFCD02662132
IUPAC Name:
1-tert-butyl-3-[2-(1H-indol-3-yl)ethyl]thiourea
InChI:
InChI=1S/C15H21N3S/c1-15(2,3)18-14(19)16-9-8-11-10-17-13-7-5-4-6-12(11)13/h4-7,10,17H,8-9H2,1-3H3,(H2,16,18,19)
InChI Key:
MZCZDHNBJCIRBF-UHFFFAOYSA-N
SMILES:
S=C(NC(C)(C)C)NCCc1c[nH]c2c1cccc2
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.146g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
275.414g/mol
Monoisotopic Mass:
275.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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