CAS
93929-60-3 Purity
96%
93929-60-3 Purity
96%
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2-Amino-4-bromothiophenol
CAS
93933-49-4
Catalog Number
ACM93933494
Category
Other Products
Molecular Weight
204.087540 [g/mol]
Molecular Formula
C6H12N2OS
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Specification
Synonyms
2-amino-4-bromobenzene-1-thiol, Benzenethiol, 2-amino-4-bromo-, 2-AMINO-4-BROMOTHIOPHENOL, 93933-49-4, ACMC-20dy52, SureCN489124, 2-Amino-4-bromo-benzenethiol, CTK3G9405, MolPort-012-606-285, 2-AMINO-4-BROMOBENZENETHIOL, AC1Q5197, AKOS009436861, AB54823, AG-A-36056, AG-B-89430, AM81219, KB-227694, EN300-40438, A11695
IUPAC Name
2-amino-4-bromobenzenethiol
InChI Key
WKEYPPZTEITNHZ-UHFFFAOYSA-N
Exact Mass
202.94000
H-Bond Acceptor
2
H-Bond Donor
2
What is the molecular formula of 2-Amino-4-bromothiophenol?
C6H6BrNS
What is the molecular weight of 2-Amino-4-bromothiophenol?
204.09 g/mol
What is the IUPAC Name of 2-Amino-4-bromothiophenol?
2-amino-4-bromobenzenethiol
What is the Canonical SMILES of 2-Amino-4-bromothiophenol?
C1=CC(=C(C=C1Br)N)S
What is the InChIKey of 2-Amino-4-bromothiophenol?
WKEYPPZTEITNHZ-UHFFFAOYSA-N
What is the CAS number of 2-Amino-4-bromothiophenol?
93933-49-4
How many hydrogen bond donor counts are present in 2-Amino-4-bromothiophenol?
2
What is the topological polar surface area of 2-Amino-4-bromothiophenol?
27.2
How many rotatable bond counts are present in 2-Amino-4-bromothiophenol?
0
Is the compound canonicalized?
Yes
Upstream Synthesis Route 1
- 76209-05-7
- 93933-49-4
Reference: [1]Baltzly et al.
[Journal of the American Chemical Society, 1946, vol. 68, p. 2673,2677]
Downstream Synthesis Route 1
- 32315-10-9
- 93933-49-4
- 305790-48-1
Reference: [1] Patent: WO2017/205536, 2017, A2, . Location in patent: Page/Page column 89
Downstream Synthesis Route 2
- 32315-10-9
- 93933-49-4
- 199475-45-1
Reference: [1] Journal of Medicinal Chemistry, 2017, vol. 60, # 24, p. 10151 - 10171
[2] Patent: WO2017/205536, 2017, A2, . Location in patent: Page/Page column 83; 84
[3] Patent: WO2014/190199, 2014, A1, . Location in patent: Paragraph 00285
Downstream Synthesis Route 3
- 4023-79-4
- 93933-49-4
- 95081-30-4
Reference: [1]Gupta; Kumar; Gautam
[Journal of Heterocyclic Chemistry, 1984, vol. 21, # 6, p. 1713 - 1715]
Downstream Synthesis Route 4
- 4023-80-7
- 93933-49-4
- 95081-29-1
Reference: [1]Gupta; Kumar; Gautam
[Journal of Heterocyclic Chemistry, 1984, vol. 21, # 6, p. 1713 - 1715]
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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