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| CAS No.: | 78441-84-6 |
|---|---|
| Name: | 11-amino-3,6-dihydroxy-3-(hydroxyacetyl)-10-methoxy-5,12-dioxo-1,2,3,4,5,12-hexahydrotetracen-1-yl 3-(3-cyanomorpholin-4-yl)-2,3,6-trideoxyhexopyranoside |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C9H14N8OS3 |
| Molecular Weight: | 346.461 |
| Density: | 1.56g/cm3 |
| Boiling Point: | 988°C at 760 mmHg |
| Flash Point: | 551.3°C |
| Safety: | Questionable carcinogen with tumorigenic data. When heated to decomposition it emits toxic vapors of NOx and SOx. |
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Chemistry
Product Name: BL 6341A (CAS NO.78441-84-6)
Molecular Formula: C9H14N8OS3
Molecular Weight: 346.49g/mol
Mol File: 78441-84-6.mol
Boiling point: 642 °C at 760 mmHg
Flash Point: 342.1 °C
Density: 1.85 g/cm3
Surface Tension: 98.7 dyne/cm
Enthalpy of Vaporization: 94.76 kJ/mol
Vapour Pressure: 2.24E-16 mmHg at 25°C
XLogP3-AA: -1.2
H-Bond Donor: 4
H-Bond Acceptor: 9
Structure Descriptors of BL 6341A (CAS NO.78441-84-6):
IUPAC Name: 2-[4-[2-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]ethylsulfanylmethyl]-1,3-thiazol-2-yl]guanidine
Canonical SMILES: C1=C(N=C(S1)N=C(N)N)CSCCNC2=NS(=O)N=C2N
InChI: InChI=1S/C9H14N8OS3/c10-6-7(17-21(18)16-6)13-1-2-19-3-5-4-20-9(14-5)15-8(11)12/h4H,1-3H2,(H2,10,16)(H,13,17)(H4,11,12,14,15)
InChIKey: JDKAFLSRQPKFCQ-UHFFFAOYSA-N
Safety Profile
Questionable carcinogen with tumorigenic data. When heated to decomposition it emits toxic vapors of NOx and SOx.
Specification
BL 6341A , its CAS NO. is 78441-84-6, the synonyms are BRN 5308974 ; Guanidine, (4-(((2-((4-amino-1,2,5-thiadiazol-3-yl)amino)ethyl)thio)methyl)-2-thiazolyl)-, S-oxide .