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122345-47-5 | 1,2,4,3-Thiadiazaboretidine, 2,4-bis(1,1-dimethylethyl)-3-methyl-
CAS No: 122345-47-5 Catalog No: AG00175K MDL No:
Product Description
Catalog Number:
AG00175K
Chemical Name:
1,2,4,3-Thiadiazaboretidine, 2,4-bis(1,1-dimethylethyl)-3-methyl-
CAS Number:
122345-47-5
Molecular Formula:
C9H21BN2S
Molecular Weight:
200.1524
IUPAC Name:
2,4-ditert-butyl-3-methyl-1,2,4,3-thiadiazaboretidine
InChI:
InChI=1S/C9H21BN2S/c1-8(2,3)11-10(7)12(13-11)9(4,5)6/h1-7H3
InChI Key:
AYXCXBNBLAHMJM-UHFFFAOYSA-N
SMILES:
CB1N(SN1C(C)(C)C)C(C)(C)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.152g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.151g/mol
Monoisotopic Mass:
200.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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