1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea(S,S-TUC) - CAS 851477-20-8
Catalog: |
BB043318 |
Product Name: |
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea(S,S-TUC) |
CAS: |
851477-20-8 |
Synonyms: |
SCHEMBL2513150; Thiourea, N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1S,2S)-2-(diMethylaMino)cyclohexyl]-; 1-[(1alpha)-2beta-(Dimethylamino)cyclohexyl]-3-[3,5-bis(trifluoromethyl)phenyl]thiourea; 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea |
IUPAC Name: | 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2-(dimethylamino)cyclohexyl]thiourea |
Description: | 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea(S,S-TUC) (CAS# 851477-20-8 ) is a useful research chemical. |
Molecular Weight: | 413.43 |
Molecular Formula: | C17H21F6N3S |
Canonical SMILES: | CN(C)C1CCCCC1NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F |
InChI: | InChI=1S/C17H21F6N3S/c1-26(2)14-6-4-3-5-13(14)25-15(27)24-12-8-10(16(18,19)20)7-11(9-12)17(21,22)23/h7-9,13-14H,3-6H2,1-2H3,(H2,24,25,27)/t13-,14-/m0/s1 |
InChI Key: | NQRCAVZHOLYEBJ-KBPBESRZSA-N |
Purity: | 95 % |
Storage: | Sealed in dry. Keep cold. |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261 - P280 - P301+P312 - P302+P352 - P305+P351+P338 |
Signal Word: | Warning |
Complexity: | 486 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 413.13603783 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 413.13603783 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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