Cas no 832098-97-2 (Thiourea, [4-(trans-4-hexylcyclohexyl)phenyl]-)
![Thiourea, [4-(trans-4-hexylcyclohexyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/832500/832098-97-2x500.png)
832098-97-2 structure
Product Name:Thiourea, [4-(trans-4-hexylcyclohexyl)phenyl]-
CAS No:832098-97-2
MF:C19H30N2S
MW:318.519903659821
CID:676609
PubChem ID:5277323
Update Time:2025-04-19
Thiourea, [4-(trans-4-hexylcyclohexyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, [4-(trans-4-hexylcyclohexyl)phenyl]-
- [4-(4-hexylcyclohexyl)phenyl]thiourea
- 832098-97-2
- Thiourea, N-[4-(trans-4-hexylcyclohexyl)phenyl]-
- SCHEMBL3424251
- DTXSID10415020
- SCHEMBL3424247
-
- Inchi： 1S/C19H30N2S/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)21-19(20)22/h11-16H,2-10H2,1H3,(H3,20,21,22)
- InChI Key： WLMUGDWAMLADNA-UHFFFAOYSA-N
- SMILES： S=C(N)NC1C=CC(=CC=1)C1CCC(CCCCCC)CC1
Computed Properties
- Exact Mass: 318.21297014g/mol
- Monoisotopic Mass: 318.21297014g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 315
- 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: 6.6
- Topological Polar Surface Area: 70.1?2
Thiourea, [4-(trans-4-hexylcyclohexyl)phenyl]- Related Literature
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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