3-(3-amino-3-oxopropyl)-2-[[4-[bis(2-chloroethyl)amino]phenyl]azo]-6-methoxybenzothiazolium chloride (CAS 12221-37-3) — formula C21H24Cl3N5O2S, molecular weight 516.9; category organic chemicals.
| CAS Number | 12221-37-3 |
|---|---|
| Molecular Formula | C21H24Cl3N5O2S |
| Molecular Weight | 516.9 |
| Category | Organic Chemicals |
3-(3-amino-3-oxopropyl)-2-[[4-[bis(2-chloroethyl)amino]phenyl]azo]-6-methoxybenzothiazolium chloride is a carbon-based organic compound with CAS registry number 12221-37-3 and molecular formula C21H24Cl3N5O2S (molecular weight 516.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 12221-37-3
Its molecular formula C21H24Cl3N5O2S comprises 21 C, 24 H, 3 Cl, 5 N, 2 O, 1 S atoms.
Also known as: 3-(3-amino-3-oxopropyl)-2-[[4-[bis(2-chloroethyl)amino]phenyl]azo]-6-methoxybenzothiazolium chloride · 3-(3-氨基-3-氧代丙基)-2-[[4-[双(2-氯乙基)氨基]苯基]偶氮]-6-甲氧基苯并噻唑氯化物
Category: organic chemicals
The CAS registry number of 3-(3-amino-3-oxopropyl)-2-[[4-[bis(2-chloroethyl)amino]phenyl]azo]-6-methoxybenzothiazolium chloride is 12221-37-3.
Molecular formula C21H24Cl3N5O2S, molecular weight 516.9.
It is also registered under: 3-(3-amino-3-oxopropyl)-2-[[4-[bis(2-chloroethyl)amino]phenyl]azo]-6-methoxybenzothiazolium chloride, 3-(3-氨基-3-氧代丙基)-2-[[4-[双(2-氯乙基)氨基]苯基]偶氮]-6-甲氧基苯并噻唑氯化物.
Category: Organic Chemicals.
Independent reference data for 3-(3-amino-3-oxopropyl)-2-[[4-[bis(2-chloroethyl)amino]phenyl]azo]-6-methoxybenzothiazolium chloride (CAS 12221-37-3), compiled from public chemistry databases.
| CAS 号 | 12221-37-3 |
|---|---|
| PubChem CID | 19798216 |
| 分子式 | C21H24Cl3N5O2S |
| IUPAC 名称 | 3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-1,3-benzothiazol-3-ium-3-yl]propanamide chloride |
| UNII（FDA） | NS00052564 |
| Molecular Weight | 516.9 |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Exact Mass | 515.071629 |
| Monoisotopic Mass | 515.071629 |
| Topological Polar Surface Area | 112 |
| Heavy Atom Count | 32 |
12221-37-3; EINECS 235-410-0; 3-(3-Amino-3-oxopropyl)-2-((4-(bis(2-chloroethyl)amino)phenyl)azo)-6-methoxybenzothiazolium chloride; 3-(3-amino-3-oxopropyl)-2-[[4-[bis(2-chloroethyl)amino]phenyl]azo]-6-methoxybenzothiazolium chloride; 3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-1,3-benzothiazol-3-ium-3-yl]propanamide;chloride; SCHEMBL29637794; NS00052564
3-(3-氨基-3-氧代丙基)-2-[[4-[双(2-氯乙基)氨基]苯基]偶氮]-6-甲氧基苯并噻唑氯化物 · CAS 12221-37-3 · C21H24Cl3N5O2S. UNII NS00052564.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.