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Pharmaceutical Intermediates
7-BROMOMETHYL-BENZO[B]THIOPHENE
CAS:
10133-24-1
MW:
227.12088
MF:
C9H7BrS
 
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Names and ldentifier
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
7-BROMOMETHYL-BENZO[B]THIOPHENE
1.2 Synonyms
7-(BROMOMETHYL)-1-BENZOTHIOPHENE; 7-BROMOMETHYL-BENZO[B]THIOPHENE;
1.3 CAS No.
10133-24-1
1.4 CID
10751761
1.5 Molecular Formula
C9H7BrS
1.6 Inchi
InChI=1S/C9H7BrS/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5H,6H2
1.7 InChkey
CBWUJYGWPDPIFY-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC2=C(C(=C1)CBr)SC=C2
1.9 Isomers Smiles
C1=CC2=C(C(=C1)CBr)SC=C2
2. Synthesis Route
10133-24-1
Total: 2 Synthesis Route
14315-15-2
9 Suppliers
10133-24-1
7 Suppliers
14315-15-2
9 Suppliers
34241-39-9
10133-24-1
7 Suppliers
3. Precursor and Product
precursor:
14315-15-2
34241-39-9
4. Computed Properties
Molecular Weight:
227.12088g/mol
Molecular Formula:
C
9
H
7
BrS
Compound Is Canonicalized:
True
Exact Mass:
3.5
XLogP3-AA:
225.94518
Monoisotopic Mass:
225.94518
Complexity:
138
Rotatable Bond Count:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Topological Polar Surface Area:
28.2
Heavy Atom Count::
11
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADcYBwAABAEAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAEgB8AAAGARAAAABTACEWACwAcAAAAiEAiBCAAADAIAgCBBIiBgAAKgIICKgERCAIAAggAAoiBcAgMAOAAACAAAEAAAAAAQAAAgAAAAAAAAAAA==
5. Toltal 7 Suppliers
View more
Elsa Biotechnology Co.,Ltd.
Tel:
Update Time:
2019/02/26
inquire
Nanjing Chemlin Chemical Co., Ltd.
Tel:
Update Time:
2024/03/04
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Shanghai Yolne Chemical Co., Ltd
Tel:
Update Time:
2019/02/23
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Fulcrum Scientific Ltd.
Tel:
Update Time:
2019/11/25
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Focus Synthesis LLC
Tel:
Update Time:
2019/11/25
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6. Realated Product Infomation
3-(Bromomethyl)benzo[b]thiophene
cas:1196-19-6
3-(BROMOMETHYL)-7-CHLORO BENZO[B]THIOPHENE
cas:17512-61-7
5-bromo-3-(bromomethyl)benzo[b]thiophene
cas:1757-24-0
3-bromomethyl-5-fluoro-benzo[b]thiophene
cas:17512-59-3
2-Bromomethyl-7-fluoro-benzo[b]thiophene
cas:102246-39-9
6-Bromo-2-(bromomethyl)benzo[b]thiophene
cas:895550-11-5
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2.
Synthesis Route
3.
Precursor and Product
4.
Computational chemical data
5.
Toltal 7 Suppliers
6.
Realated Product Infomation
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