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827307-33-5 | Phenol, 2-[bis(2-mercaptoethyl)amino]-4-(1,1-dimethylethyl)-
CAS No: 827307-33-5 Catalog No: AG00502F MDL No:
Product Description
Catalog Number:
AG00502F
Chemical Name:
Phenol, 2-[bis(2-mercaptoethyl)amino]-4-(1,1-dimethylethyl)-
CAS Number:
827307-33-5
Molecular Formula:
C14H23NOS2
Molecular Weight:
285.4685
IUPAC Name:
2-[bis(2-sulfanylethyl)amino]-4-tert-butylphenol
InChI:
InChI=1S/C14H23NOS2/c1-14(2,3)11-4-5-13(16)12(10-11)15(6-8-17)7-9-18/h4-5,10,16-18H,6-9H2,1-3H3
InChI Key:
PHDLQBWXVMODOO-UHFFFAOYSA-N
SMILES:
SCCN(c1cc(ccc1O)C(C)(C)C)CCS
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
285.464g/mol
Monoisotopic Mass:
285.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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