Cas no 109704-32-7 (1-Propene,1,3-diisothiocyanato-, (Z)- (9CI))
109704-32-7 structure
Product Name:1-Propene,1,3-diisothiocyanato-, (Z)- (9CI)
CAS No:109704-32-7
MF:C5H6N2S2
MW:158.244537830353
CID:128531
PubChem ID:123529
Update Time:2025-04-18
1-Propene,1,3-diisothiocyanato-, (Z)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1-Propene,1,3-diisothiocyanato-, (Z)- (9CI)
- 1,3-PROPANE DIISOTHIOCYANATE
- 1,3-Propylene diisothiocyanate
- 1,3-Diisothiocyanatopropane
- FS-4936
- 52714-52-0
- DTXSID901031712
- A802075
- MFCD08461845
- 1,?3-?Propylenediisothiocy?anate
- 1,3-propylenediisothiocyanate
- FT-0606742
- SCHEMBL1854857
- Propane, 1,3-diisothiocyanato-
- J-002318
- CHEMBL3752304
- 1,3-Diisothiocyanatopropane #
- AKOS006229277
- HSFDFWROECINQQ-UHFFFAOYSA-N
- 109704-32-7
- 1,3-PROPANE DIISOTHIOCYANATE 95%
- 1,3-Propylene diisothiocyate, 98%
-
- Inchi： 1S/C5H6N2S2/c8-4-6-2-1-3-7-5-9/h1-3H2
- InChI Key： HSFDFWROECINQQ-UHFFFAOYSA-N
- SMILES： S=C=NCCCN=C=S
Computed Properties
- Exact Mass: 157.99700
- Monoisotopic Mass: 157.997
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 136
- 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
- Topological Polar Surface Area: 88.9A^2
- XLogP3: 3.3
Experimental Properties
- Density: 1.21
- Boiling Point: 147 °C
- Flash Point: 132.5oC
- Refractive Index: 1.578
- PSA: 88.90000
- LogP: 1.58210
1-Propene,1,3-diisothiocyanato-, (Z)- (9CI) Security Information
- Safety Instruction： S26-S36/37/39-S45
- Safety Term：S26;S36/37/39;S45
- Risk Phrases：R20/21/22; R34
- HazardClass：IRRITANT-HARMFUL
1-Propene,1,3-diisothiocyanato-, (Z)- (9CI) Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 009570-250mg |
1,3-Propylenediisothiocyanate |
109704-32-7 | 98% | 250mg |
￡20.00 | 2022-02-28 | |
| Fluorochem | 009570-1g |
1,3-Propylenediisothiocyanate |
109704-32-7 | 98% | 1g |
￡45.00 | 2022-02-28 | |
| Fluorochem | 009570-5g |
1,3-Propylenediisothiocyanate |
109704-32-7 | 98% | 5g |
￡134.00 | 2022-02-28 |
1-Propene,1,3-diisothiocyanato-, (Z)- (9CI) Related Literature
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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