1-(4-TRANS-HEXYLCYCLOHEXYL)-4-[2-(4-ISOTHIOCYANATOPHENYL)ETHYL]BENZENE

CAS No.
110499-95-1
CCD No.
CCD00064985
Formula
C27 H35 N S
MolWeight
405.647

Basic Information

Product Name: 1-(4-TRANS-HEXYLCYCLOHEXYL)-4-[2-(4-ISOTHIOCYANATOPHENYL)ETHYL]BENZENE
CAS: 110499-95-1
English Synonyms: 1-(4-TRANS-HEXYLCYCLOHEXYL)-4-[2-(4-ISOTHIOCYANATOPHENYL)ETHYL]BENZENE
MDL Number.: MFCD00134448
H bond acceptor: 1
H bond donor: 0
Smile: CCCCCC[C@H]1CC[C@@H](CC1)c2ccc(cc2)CCc3ccc(cc3)N=C=S
InChi: InChI=1S/C27H35NS/c1-2-3-4-5-6-22-9-15-25(16-10-22)26-17-11-23(12-18-26)7-8-24-13-19-27(20-14-24)28-21-29/h11-14,17-20,22,25H,2-10,15-16H2,1H3/t22-,25-
InChiKey: InChIKey=GFLJBHDKHDTGGY-RZFKFIIISA-N

Property

Comments: UNSPSC: 12171500
WGK: 3

Safety information

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