UCSF

ZINC08615004

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2007 12 No

Popular Name: 2-Amino-4-methoxybenzothiazole 2-Amino-4-methoxybenzothiazole

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CAS Numbers: 105-13-5 , 5464-79-9 , [5464-79-9]

Download: MOL2 SDF SMILES Flexibase

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Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.99 2.5 -10.25 2 3 0 48 180.232 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 152 - 156 Enamine Building Blocks
Mp [°C] 153 - 155 Acros Organics
Melting_Point 153-159? Alfa-Aesar
Melting_Point 153-159° Alfa-Aesar
MP 153...155 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
H phrase H312: Harmful in contact with skin Acros Organics
H phrase H312: Harmful in contact with skin; H332: Harmful if inhaled; H302: Harmful if swallowed Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: R Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
Hazard XN: Harmful Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )