CAS
4498-72-0 Purity
97+%
4498-72-0 Purity
97+%
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4-Methylbenzyl mercaptan
CAS
4498-99-1
Catalog Number
ACM4498991
Category
Other Products
Molecular Weight
138.23
Molecular Formula
C8H10S
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- Product Description
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- Synthetic Use
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Specification
Synonyms
p-Xylene-alpha-thiol, Benzenemethanethiol, 4-methyl-, NSC79870, CID78252, EINECS 224-796-6, ZINC04282632, BBV-059063, 4498-99-1
IUPAC Name
(4-methylphenyl)methanethiol
SMILES
CC1=CC=C(C=C1)CS
InChI Key
AGFYZLVFPSGUIX-UHFFFAOYSA-N
Boiling Point
105ºC (16 torr)
Flash Point
85.6ºC
Density
1.023
EC Number
224-796-6
Exact Mass
138.05000
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
0
H-Bond Donor
0
Packing Group
III
Safety Description
S23-S36/37
Downstream Synthesis Route 1
- 4498-99-1
- 51419-59-1
Reference: [1] Synlett, 2011, # 16, p. 2315 - 2320
[2] Bulletin of the Korean Chemical Society, 2012, vol. 33, # 2, p. 383 - 386
Downstream Synthesis Route 2
- 4498-99-1
- 98541-64-1
- 61925-78-8
Reference: [1] Journal of Medicinal Chemistry, 2008, vol. 51, # 10, p. 2992 - 3004
Downstream Synthesis Route 3
- 4498-99-1
- 105-36-2
- 58511-20-9
Reference: [1]Cagniant,P. et al.
[Bulletin de la Societe Chimique de France, 1961, p. 2225 - 2235]
Downstream Synthesis Route 4
- 590-92-1
- 4498-99-1
- 78981-22-3
Reference: [1]Journal of Medicinal Chemistry,1988,vol. 31,p. 742 - 744
Downstream Synthesis Route 5
- 67-56-1
- 201230-82-2
- 4498-99-1
- 23786-13-2
Reference: [1]Shim, Sang Chul; Antebi, Shlomo; Alper, Howard
[Journal of Organic Chemistry, 1985, vol. 50, # 1, p. 147 - 149]
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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