3,3'-Diethylthiatricarbocyanine iodide

Modify Date: 2024-01-04 15:16:49

3,3'-Diethylthiatricarbocyanine iodide Structure
3,3'-Diethylthiatricarbocyanine iodide structure
Common Name 3,3'-Diethylthiatricarbocyanine iodide
CAS Number 3071-70-3 Molecular Weight 544.51400
Density N/A Boiling Point N/A
Molecular Formula C25H25IN2S2 Melting Point 211ºC (dec.)(lit.)
MSDS Chinese USA Flash Point N/A
Symbol GHS07
GHS07
Signal Word Warning

 Use of 3,3'-Diethylthiatricarbocyanine iodide


3,3′-Diethylthiatricarbocyanine iodide is an infrared photographic sensitizing dye. 3,3′-Diethylthiatricarbocyanine iodide is a highly sensitive chiroptical reporter of DNA helicity and sequence[1][2].

 Names

Name 3,3'-diethylthiatricarbocyanine iodide
Synonym More Synonyms

 3,3'-Diethylthiatricarbocyanine iodide Biological Activity

Description 3,3′-Diethylthiatricarbocyanine iodide is an infrared photographic sensitizing dye. 3,3′-Diethylthiatricarbocyanine iodide is a highly sensitive chiroptical reporter of DNA helicity and sequence[1][2].
Related Catalog
References

[1]. Choi JK, et al. 3,3'-diethylthiatricarbocyanine iodide: a highly sensitive chiroptical reporter of DNA helicity and sequence. Int J Mol Sci. 2011;12(11):8052-62.

[2]. J. A. Potenza, et al. Crystal and molecular structure of 3,3'-diethylthiatricarbocyanine iodide, an infrared photographic sensitizing dye. Acta Cryst. (1978). B34, 193-199.

 Chemical & Physical Properties

Melting Point 211ºC (dec.)(lit.)
Molecular Formula C25H25IN2S2
Molecular Weight 544.51400
Exact Mass 544.05000
PSA 65.29000
LogP 3.13620

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL7045000
CHEMICAL NAME :
Benzothiazolium, 3-ethyl-2-(7-(3-ethyl-2-benzothiazolinylidene)-1,3,5- heptatrienyl)-, iodide
CAS REGISTRY NUMBER :
3071-70-3
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C25-H25-N2-S2.I
MOLECULAR WEIGHT :
544.54
WISWESSER LINE NOTATION :
T56 BNYSJ B2 CU2U2U2U1- CT56 BK DSJ B2 &I

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 10,897,1967

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H312-H315-H319-H332-H335
Precautionary Statements P261-P280-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn: Harmful;
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S26;S36/S37
RIDADR UN 2811
WGK Germany 3
RTECS DL7045000
Packaging Group III
Hazard Class 6.1(b)

 Synthetic Route

~46%

3,3'-Diethylthiatricarbocyanine iodide Structure

3,3'-Diethylthi...

CAS#:3071-70-3

Literature: Okoh, Okoh Adeyi; Bisby, Roger H.; Lawrence, Clare L.; Rolph, Carole E.; Smith, Robert B. Journal of Sulfur Chemistry, 2014 , vol. 35, # 1 p. 42 - 56

~97%

3,3'-Diethylthiatricarbocyanine iodide Structure

3,3'-Diethylthi...

CAS#:3071-70-3

Literature: Makin, S. M.; Kruglikova, R. I.; Shavrygina, O. A.; Kolobova, T. P.; Popova, T. P.; Tagirov, T. K. Journal of Organic Chemistry USSR (English Translation), 1987 , vol. 23, # 10 p. 1850 - 1852 Zhurnal Organicheskoi Khimii, 1987 , vol. 23, # 10 p. 2093 - 2096

~96%

3,3'-Diethylthiatricarbocyanine iodide Structure

3,3'-Diethylthi...

CAS#:3071-70-3

Literature: Makin, S. M.; Kruglikova, R. I.; Shavrygina, O. A.; Kolobova, T. P.; Popova, T. P.; Tagirov, T. K. Journal of Organic Chemistry USSR (English Translation), 1987 , vol. 23, # 10 p. 1850 - 1852 Zhurnal Organicheskoi Khimii, 1987 , vol. 23, # 10 p. 2093 - 2096

~75%

3,3'-Diethylthiatricarbocyanine iodide Structure

3,3'-Diethylthi...

CAS#:3071-70-3

Literature: Makin, S. M.; Kruglikova, R. I.; Shavrygina, O. A.; Kolobova, T. P.; Popova, T. P.; Tagirov, T. K. Journal of Organic Chemistry USSR (English Translation), 1987 , vol. 23, # 10 p. 1850 - 1852 Zhurnal Organicheskoi Khimii, 1987 , vol. 23, # 10 p. 2093 - 2096

~70%

3,3'-Diethylthiatricarbocyanine iodide Structure

3,3'-Diethylthi...

CAS#:3071-70-3

Literature: Makin, S. M.; Kruglikova, R. I.; Shavrygina, O. A.; Kolobova, T. P.; Popova, T. P.; Tagirov, T. K. Journal of Organic Chemistry USSR (English Translation), 1987 , vol. 23, # 10 p. 1850 - 1852 Zhurnal Organicheskoi Khimii, 1987 , vol. 23, # 10 p. 2093 - 2096

~%

3,3'-Diethylthiatricarbocyanine iodide Structure

3,3'-Diethylthi...

CAS#:3071-70-3

Literature: Journal of Sulfur Chemistry, , vol. 35, # 1 p. 42 - 56

~%

3,3'-Diethylthiatricarbocyanine iodide Structure

3,3'-Diethylthi...

CAS#:3071-70-3

Literature: Journal of Sulfur Chemistry, , vol. 35, # 1 p. 42 - 56

~%

3,3'-Diethylthiatricarbocyanine iodide Structure

3,3'-Diethylthi...

CAS#:3071-70-3

Literature: Journal of Sulfur Chemistry, , vol. 35, # 1 p. 42 - 56

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 Synonyms

3,3'-diethyl-2,2'-thiadicarbocyanine iodide
3-Ethyl-2-[7-[3-ethyl-2(3H)-benzothiazolylidene]-1,3,5-heptatrienyl]benzothiazolium Iodide
DTTC IODIDE
3,3'-Diethylthiatricarbocyanine Iodide
THIATRICARBOCYANINE IODIDE,3,3'-DIETHYL
oliumiodide
DTTCI
NK-126
AURORA KA-295
MFCD00041994
3,3'-diethylthiatricarbocyanine
diethylthiatricarbocyanine iodide
3,3'-DIETHYL-2,2'-THIATRICARBOCYANINE IODIDE
1,7-bis-(3-ethyl-benzothiazol-2-yl)-heptamethinium,iodide
DTTC
EINECS 221-342-9