Basic information
- CAS
1849-65-6- Standard SMILES
S=c1[nH]c2c(Cl)cccc2s1- InChIKey
MYBFPRUVQGKNIV-UHFFFAOYSA-N- Molecular formula
- C7H4ClNS2
- Average molar mass
- 201.7 g/mol
- Monoisotopic mass
- 200.9473692
Names & identifiers
- Preferred name
- 4-Chloro-1,3-benzothiazole-2(3H)-thione
- IUPAC
- 4-chloro-3H-1,3-benzothiazole-2-thione
- English name
- 4-Chloro-2-mercaptobenzothiazole
- Molecular formula
- C7H4ClNS2
- Molecular weight
- 201.7
Names & synonyms
1849-65-6DTXSID406215514-Chloro-1,3-benzothiazole-2(3H)-thioneRefChem:291262DTXCID705723054-Chlorobenzo[d]thiazole-2-thiol4-CHLORO-2-MERCAPTOBENZOTHIAZOLE4-chloro-3H-1,3-benzothiazole-2-thioneMFCD064088782(3H)-Benzothiazolethione, 4-chloro-CHEMBL4854026SCHEMBL3096248
Show more names
4-Chlor-benzthiazol-2-thiol4-Chloro-2-benzothiazolethiol2-Mercapto-4-chlorobenzothiazole4-Chloro-2(3H)-benzothiazolethione2(3H)-Benzothiazolethione,4-chloro-(9CI)
BDBM505709054-Chlorobenzo[d]thiazole-2(3H)-thione4-CHLORO-1,3-BENZOTHIAZOLE-2-THIOLAKOS016004154AB23779DS-2440FS-3669DB-028797
Database identifiers
- CAS
1849-65-6- PubChem CID
- 22017113
- DTXSID
DTXSID40621551- ChEMBL
CHEMBL4854026
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 209 · 209-210 °C
- Boiling point
- 329 °C · 329 °C
- Density
- 1.6 · 1.60
- Flash point
- 153 °C · 153 °C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 8.61 · 8.61±0.20(Predicted)
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 25
- hazard_code
- T
- safety_code
- 45
Chemistry & industry
Applications
Uses4-Chloro-2-mercaptobenzothiazole is a heterocyclic organic compound used in pharmaceutical synthesis and experimental research.
Suppliers49 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Aladdin Scientific[email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
杭州东帆化学有限公司86-0571-85151182
山东西亚化学有限公司13355009207 13355009207 · [email protected]
常州市辰悦化工科技有限公司+86-0519-85500896 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
北京泰亚杰科技有限公司021-33690831-8001 13552411790;18616022633 · [email protected]
Shanghai Witofly Chemical Co.,Ltd[email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
盐城希曼生物科技有限公司0515-88280676; 18921872653 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海伟聂化工科技有限公司15902145085 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
格莱斯兰德（天津）医药科技有限公司022-83705301 13752403750 · [email protected]
上海潜莱医药科技有限公司482109853 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13917420128 13062833949 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
Nanjing Dolon Biotechnology Co.,Ltd.18905173768 · [email protected]
海蔚化学86-21-51086038 · [email protected]
上海蓝乐鸟实业有限公司15021845385 · [email protected]
浙江联硕生物科技有限公司18616526224 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
重庆卡兰医药有限公司[email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Related reactions
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Compound notes
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