Cas no 54997-86-3 (4-cyclopropylbenzene-1-thiol)
4-Cyclopropylbenzene-1-thiol is a specialized aromatic thiol compound featuring a cyclopropyl substituent on the benzene ring. Its unique structure combines the reactivity of a thiol group with the steric and electronic effects of the cyclopropyl moiety, making it valuable in organic synthesis and coordination chemistry. The compound is particularly useful as a ligand in metal-catalyzed reactions, where its sterically constrained environment can influence selectivity and reactivity. Additionally, its thiol group enables facile functionalization, making it a versatile building block for pharmaceuticals, agrochemicals, and materials science. The cyclopropyl group enhances stability while offering opportunities for further derivatization, broadening its applicability in research and industrial applications.
4-cyclopropylbenzene-1-thiol structure
Product Name:4-cyclopropylbenzene-1-thiol
CAS No:54997-86-3
MF:C9H10S
MW:150.240701198578
CID:353122
PubChem ID:57486393
Update Time:2025-05-28
4-cyclopropylbenzene-1-thiol Chemical and Physical Properties
Names and Identifiers
-
- Benzenethiol, 4-cyclopropyl-
- 4-cyclopropylbenzenethiol
- 4-cyclopropylbenzene-1-thiol
- SCHEMBL2051518
- 54997-86-3
- DTXSID40726878
- EN300-1780830
-
- Inchi： 1S/C9H10S/c10-9-5-3-8(4-6-9)7-1-2-7/h3-7,10H,1-2H2
- InChI Key： KDBMAPTVSLWDPH-UHFFFAOYSA-N
- SMILES： SC1C=CC(=CC=1)C1CC1
Computed Properties
- Exact Mass: 150.0504
- Monoisotopic Mass: 150.05032149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 110
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 1?2
Experimental Properties
- PSA: 0
4-cyclopropylbenzene-1-thiol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1780830-0.05g |
4-cyclopropylbenzene-1-thiol |
54997-86-3 | 0.05g |
$983.0 | 2023-09-20 | ||
| Enamine | EN300-1780830-0.1g |
4-cyclopropylbenzene-1-thiol |
54997-86-3 | 0.1g |
$1031.0 | 2023-09-20 | ||
| Enamine | EN300-1780830-0.25g |
4-cyclopropylbenzene-1-thiol |
54997-86-3 | 0.25g |
$1078.0 | 2023-09-20 | ||
| Enamine | EN300-1780830-0.5g |
4-cyclopropylbenzene-1-thiol |
54997-86-3 | 0.5g |
$1124.0 | 2023-09-20 | ||
| Enamine | EN300-1780830-1.0g |
4-cyclopropylbenzene-1-thiol |
54997-86-3 | 1g |
$1172.0 | 2023-06-02 | ||
| Enamine | EN300-1780830-2.5g |
4-cyclopropylbenzene-1-thiol |
54997-86-3 | 2.5g |
$2295.0 | 2023-09-20 | ||
| Enamine | EN300-1780830-5.0g |
4-cyclopropylbenzene-1-thiol |
54997-86-3 | 5g |
$3396.0 | 2023-06-02 | ||
| Enamine | EN300-1780830-10.0g |
4-cyclopropylbenzene-1-thiol |
54997-86-3 | 10g |
$5037.0 | 2023-06-02 | ||
| Enamine | EN300-1780830-1g |
4-cyclopropylbenzene-1-thiol |
54997-86-3 | 1g |
$1172.0 | 2023-09-20 | ||
| Enamine | EN300-1780830-5g |
4-cyclopropylbenzene-1-thiol |
54997-86-3 | 5g |
$3396.0 | 2023-09-20 |
4-cyclopropylbenzene-1-thiol Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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