Basic information
- CAS
136860-48-5- Standard SMILES
CC12CC3CC(C1)CC(N=C=S)(C3)C2- InChIKey
ZJAYYILGFJOGCD-UHFFFAOYSA-N- Molecular formula
- C12H17NS
- Average molar mass
- 207.34 g/mol
- Monoisotopic mass
- 207.10817072
Names & identifiers
- Preferred name
- 3-Methyl-1-adamantylisothiocyanate
- IUPAC
- 1-isothiocyanato-3-methyladamantane
- English name
- Tricyclo[3.3.1.13,7]decane, 1-isothiocyanato-3-methyl- (9CI)
- Molecular formula
- C12H17NS
- Molecular weight
- 207.34
Names & synonyms
3-methyl-1-adamantylisothiocyanate136860-48-5DTXSID10343612RefChem:280632DTXCID102946901-Isothiocyanato-3-methyladamantane3-methyl-1-adamantyl isothiocyanateTRICYCLO[3.3.1.13,7]DECANE, 1-ISOTHIOCYANATO-3-METHYL-SCHEMBL6941137ZJAYYILGFJOGCD-UHFFFAOYSA-NMFCD001678181-Isothiocyanato-3-methyladamantane #
Show more names
Tricyclo[3.3.1.13,7]decane, 1-isothiocyanato-3-methyl- (9CI)
AKOS004121034Adamantane, 1-isothiocyanato-3-methyl-DB-026093
Database identifiers
- CAS
136860-48-5- PubChem CID
- 590909
- DTXSID
DTXSID10343612
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2930909899
Chemistry & industry
Suppliers2 total
雷丁试剂0510-85629785 18013409632 · [email protected]
雷丁科技0510-85629785 18013409632 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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