Basic information
- CAS
5330-92-7- Standard SMILES
CC12CCC(CC1)C(C)(C)N=C(N)S2- InChIKey
ARZRFLIUCWJGRK-UHFFFAOYSA-N- Molecular formula
- C11H20N2S
- Average molar mass
- 212.36 g/mol
- Monoisotopic mass
- 212.13471982
Names & identifiers
- Preferred name
- 1(S),8(N)-p-Menthyleneisothiourea
- IUPAC
- 1,5,5-trimethyl-2-thia-4-azabicyclo[4.2.2]dec-3-en-3-amine
Names & synonyms
5330-92-7VL8TZ5LBK11,5,5-Trimethyl-2-thia-4-azabicyclo(4.2.2)decan-3-imineNSC 2539NSC-25391(S),8(N)-p-MenthyleneisothioureaUNII-VL8TZ5LBK1DTXSID802014521,5,5-Trimethyl-2-thia-4-azabicyclo(4.2.2)dec-3-en-3-amine1,5,5-Trimethyl-2-thia-4-azabicyclo[4.2.2]decan-3-imine2-THIA-4-AZABICYCLO(4.2.2)DEC-3-EN-3-AMINE, 1,5,5-TRIMETHYL-2-THIA-4-AZABICYCLO(4.2.2)DEC-3-ENE, 3-AMINO-1,5,5-TRIMETHYL-
Show more names
RefChem:196620DTXCID80123943NSC2539(3z)-1,5,5-trimethyl-2-thia-4-azabicyclo[4.2.2]dec-3-en-3-amineARZRFLIUCWJGRK-UHFFFAOYSA-N2,2,6-trimethyl-5-thia-3-azabicyclo[4.2.2]decan-4-imine3-AMINO-1,5-TRIMETHYL-2-THIA-4-AZABICYCLO[4,2,2]DEC-3-ENE
Database identifiers
- CAS
5330-92-7- PubChem CID
- 220180
- DTXSID
DTXSID80201452- UNII
- VL8TZ5LBK1
- Nikkaji
- J1.397.328H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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