Cas no 26328-58-5 (Benzene, 1-isothiocyanato-4-(phenylmethyl)-)
26328-58-5 structure
Product Name:Benzene, 1-isothiocyanato-4-(phenylmethyl)-
CAS No:26328-58-5
MF:C14H11NS
MW:225.308841943741
CID:832695
Update Time:2026-04-29
Benzene, 1-isothiocyanato-4-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-isothiocyanato-4-(phenylmethyl)-
- 1-BENZYL-4-ISOTHIOCYANATOBENZENE
- 1-Benzyl-4-isothiocyanatobenzol
-
- Inchi： InChI=1S/C14H11NS/c16-11-15-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9H,10H2
- InChI Key： OIXDXBBWNDPBFT-UHFFFAOYSA-N
- SMILES： C1=CC=C(C=C1)CC2=CC=C(C=C2)N=C=S
Computed Properties
- Exact Mass: 225.06133
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
Experimental Properties
- PSA: 12.36
Benzene, 1-isothiocyanato-4-(phenylmethyl)- Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
26328-58-5 (Benzene, 1-isothiocyanato-4-(phenylmethyl)-) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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