China (Mainland)
Acetanilide,4'-formyl-, 4',4'''-(thiocarbohydrazone) (8CI) CAS NO.7142-77-0
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Keywords
- NSC 51358
- NSC 51358
- NSC 51358
Quick Details
- ProName: Acetanilide,4'-formyl-, 4',4'''-(thioc...
- CasNo: 7142-77-0
- Application: The Acetanilide,4'-formyl-, 4',4'''-(t...
- ProductionCapacity: Metric Ton/Day
- Purity: 99
- Transportation: The Acetanilide,4'-formyl-, 4',4'''-(t...
- LimitNum: 0 Metric Ton
Superiority
The Acetanilide,4'-formyl-, 4',4'''-(thiocarbohydrazone) (8CI), with CAS registry number 7142-77-0, has the systematic name of N-(4-{(E)-[2-({2-[4-(acetylamino)benzylidene]hydrazinyl}carbothioyl)hydrazinylidene]methyl}phenyl)acetamide. And the chemical formula of this chemical is C19H20N6O2S.
Physical properties of Acetanilide,4'-formyl-, 4',4'''-(thiocarbohydrazone) (8CI): (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 56; (6)ACD/BCF (pH 7.4): 56; (7)ACD/KOC (pH 5.5): 621; (8)ACD/KOC (pH 7.4): 620; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 139.07 Å2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 111.999 cm3; (15)Molar Volume: 311.077 cm3; (16)Polarizability: 44.4×10-24cm3; (17)Surface Tension: 48.76 dyne/cm; (18)Density: 1.275 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)/C=N/NC(=S)NN=Cc2ccc(cc2)NC(=O)C)C
(2)InChI: InChI=1/C19H20N6O2S/c1-13(26)22-17-7-3-15(4-8-17)11-20-24-19(28)25-21-12-16-5-9-18(10-6-16)23-14(2)27/h3-12H,1-2H3,(H,22,26)(H,23,27)(H2,24,25,28)/b20-11+,21-12u
(3)InChIKey: KFVZINZMHLDROV-MRRLKKIIBR
(4)Std. InChI: InChI=1S/C19H20N6O2S/c1-13(26)22-17-7-3-15(4-8-17)11-20-24-19(28)25-21-12-16-5-9-18(10-6-16)23-14(2)27/h3-12H,1-2H3,(H,22,26)(H,23,27)(H2,24,25,28)/b20-11+,21-12
(5)Std. InChIKey: KFVZINZMHLDROV-GHSDEBELSA-N
Details
The Acetanilide,4'-formyl-, 4',4'''-(thiocarbohydrazone) (8CI), with CAS registry number 7142-77-0, has the systematic name of N-(4-{(E)-[2-({2-[4-(acetylamino)benzylidene]hydrazinyl}carbothioyl)hydrazinylidene]methyl}phenyl)acetamide. And the chemical formula of this chemical is C19H20N6O2S.
Physical properties of Acetanilide,4'-formyl-, 4',4'''-(thiocarbohydrazone) (8CI): (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 56; (6)ACD/BCF (pH 7.4): 56; (7)ACD/KOC (pH 5.5): 621; (8)ACD/KOC (pH 7.4): 620; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 139.07 Å2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 111.999 cm3; (15)Molar Volume: 311.077 cm3; (16)Polarizability: 44.4×10-24cm3; (17)Surface Tension: 48.76 dyne/cm; (18)Density: 1.275 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)/C=N/NC(=S)NN=Cc2ccc(cc2)NC(=O)C)C
(2)InChI: InChI=1/C19H20N6O2S/c1-13(26)22-17-7-3-15(4-8-17)11-20-24-19(28)25-21-12-16-5-9-18(10-6-16)23-14(2)27/h3-12H,1-2H3,(H,22,26)(H,23,27)(H2,24,25,28)/b20-11+,21-12u
(3)InChIKey: KFVZINZMHLDROV-MRRLKKIIBR
(4)Std. InChI: InChI=1S/C19H20N6O2S/c1-13(26)22-17-7-3-15(4-8-17)11-20-24-19(28)25-21-12-16-5-9-18(10-6-16)23-14(2)27/h3-12H,1-2H3,(H,22,26)(H,23,27)(H2,24,25,28)/b20-11+,21-12
(5)Std. InChIKey: KFVZINZMHLDROV-GHSDEBELSA-N