Cas no 2169518-05-0 (3-isothiocyanatobutanoic acid)
3-isothiocyanatobutanoic acid structure
Product Name:3-isothiocyanatobutanoic acid
CAS No:2169518-05-0
MF:C5H7NO2S
MW:145.179579973221
CID:6478114
PubChem ID:53430606
Update Time:2025-09-24
3-isothiocyanatobutanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-isothiocyanatobutanoic acid
- EN300-1458813
- 2169518-05-0
- SCHEMBL1364812
-
- Inchi： 1S/C5H7NO2S/c1-4(6-3-9)2-5(7)8/h4H,2H2,1H3,(H,7,8)
- InChI Key： WBIBRSCESFOPBN-UHFFFAOYSA-N
- SMILES： S=C=NC(C)CC(=O)O
Computed Properties
- Exact Mass: 145.01974964g/mol
- Monoisotopic Mass: 145.01974964g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 151
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 81.8?2
3-isothiocyanatobutanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1458813-0.05g |
3-isothiocyanatobutanoic acid |
2169518-05-0 | 0.05g |
$612.0 | 2023-06-06 | ||
| Enamine | EN300-1458813-0.1g |
3-isothiocyanatobutanoic acid |
2169518-05-0 | 0.1g |
$640.0 | 2023-06-06 | ||
| Enamine | EN300-1458813-0.25g |
3-isothiocyanatobutanoic acid |
2169518-05-0 | 0.25g |
$670.0 | 2023-06-06 | ||
| Enamine | EN300-1458813-0.5g |
3-isothiocyanatobutanoic acid |
2169518-05-0 | 0.5g |
$699.0 | 2023-06-06 | ||
| Enamine | EN300-1458813-1.0g |
3-isothiocyanatobutanoic acid |
2169518-05-0 | 1g |
$728.0 | 2023-06-06 | ||
| Enamine | EN300-1458813-2.5g |
3-isothiocyanatobutanoic acid |
2169518-05-0 | 2.5g |
$1428.0 | 2023-06-06 | ||
| Enamine | EN300-1458813-5.0g |
3-isothiocyanatobutanoic acid |
2169518-05-0 | 5g |
$2110.0 | 2023-06-06 | ||
| Enamine | EN300-1458813-10.0g |
3-isothiocyanatobutanoic acid |
2169518-05-0 | 10g |
$3131.0 | 2023-06-06 | ||
| Enamine | EN300-1458813-50mg |
3-isothiocyanatobutanoic acid |
2169518-05-0 | 50mg |
$612.0 | 2023-09-29 | ||
| Enamine | EN300-1458813-100mg |
3-isothiocyanatobutanoic acid |
2169518-05-0 | 100mg |
$640.0 | 2023-09-29 |
3-isothiocyanatobutanoic acid Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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