N,N'-(2,7-Di-tert-butyl-9,9-dimethyl-9H-xanthene-4,5-diyl)bis[N'-butyl(thiourea)]

HCID 16218761CAS 187404-67-7

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Basic information

Standard SMILES
CCCCNC(=S)Nc1cc(C(C)(C)C)cc2c1Oc1c(NC(=S)NCCCC)cc(C(C)(C)C)cc1C2(C)C
InChIKey
GYGZJHGSLBVTPV-UHFFFAOYSA-N
Molecular formula
C33H50N4OS2
Average molar mass
582.924 g/mol
Monoisotopic mass
582.34260422

Names & identifiers

Preferred name
N,N'-(2,7-Di-tert-butyl-9,9-dimethyl-9H-xanthene-4,5-diyl)bis[N'-butyl(thiourea)]
IUPAC
N,N'-(2,7-Di-tert-butyl-9,9-dimethyl-9H-xanthene-4,5-diyl)bis[N'-butyl(thiourea)]
English name
CHLORIDE IONOPHORE IV
Molecular formula
C33H50N4OS2
Molecular weight
582.91

Names & synonyms

Bisthiourea-1CHLORIDE IONOPHORE IV SELECTOPHORE2,7-Di-tert-butyl-9,9-dimethyl-4,5-bis(N'-n-butyl-thioureido)xanthene1,1'-(2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene-4,5-diyl)bis(3-butylthiourea)1-butyl-3-[2,7-ditert-butyl-5-(butylcarbamothioylamino)-9,9-dimethylxanthen-4-yl]thioureaThiourea, N,N''-[2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-9H-xanthene-4,5-diyl]bis[N'-butyl-

Database identifiers

CAS
187404-67-7
PubChem CID
16218761
DTXSID
DTXSID40585028
Nikkaji
J1.112.911K

Properties

Physicochemical properties

Boiling point
597.1 · 597.1±60.0 °C(Predicted)
Density
1.105 · 1.105±0.06 g/cm3(Predicted)
pka
12.47 · 12.47±0.40(Predicted)
form
powder
color
White to off-white
InChIKey
GYGZJHGSLBVTPV-UHFFFAOYSA-N

Safety & regulation

Safety data

F
10-23
PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
Storage Class
11 - Combustible Solids

Chemistry & industry

Applications

UsesChloride Ionophore IV is a thiourea type hydrogen bonding-based receptor. Chloride Ionophore IV is a chloride ionophore[1][2].

Suppliers13 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587
Aladdin Scientific[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
星基医药（上海）有限公司15705593425

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