3-tert-butyl-1-(2,2-dimethylthietan-3-yl)urea - CAS 1857788-42-1
Catalog: |
BB014245 |
Product Name: |
3-tert-butyl-1-(2,2-dimethylthietan-3-yl)urea |
CAS: |
1857788-42-1 |
Synonyms: |
1-tert-butyl-3-(2,2-dimethyl-3-thietanyl)urea; 1-tert-butyl-3-(2,2-dimethylthietan-3-yl)urea |
IUPAC Name: | 1-tert-butyl-3-(2,2-dimethylthietan-3-yl)urea |
Description: | 3-tert-butyl-1-(2,2-dimethylthietan-3-yl)urea (CAS# 1857788-42-1 ) is a useful research chemical. |
Molecular Weight: | 216.343 |
Molecular Formula: | C10H20N2OS |
Canonical SMILES: | CC1(C(CS1)NC(=O)NC(C)(C)C)C |
InChI: | InChI=1S/C10H20N2OS/c1-9(2,3)12-8(13)11-7-6-14-10(7,4)5/h7H,6H2,1-5H3,(H2,11,12,13) |
InChI Key: | VWKZISWKYOJKCK-UHFFFAOYSA-N |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.12963444 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.12963444 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.4 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Related Functional Groups
Oxetane/Thietane
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