2,3,3-Trimethylbicyclo[2.2.1]heptane-2-thiol
Basic information
- CAS
94089-04-0- Standard SMILES
CC1(C)C2CCC(C2)C1(C)S- InChIKey
DYSMZFZOVYDRLT-UHFFFAOYSA-N- Molecular formula
- C10H18S
- Average molar mass
- 170.32 g/mol
- Monoisotopic mass
- 170.11292175
Names & identifiers
- Preferred name
- 2,3,3-Trimethylbicyclo[2.2.1]heptane-2-thiol
- IUPAC
- 2,3,3-trimethylbicyclo[2.2.1]heptane-2-thiol
- English name
- 2,3,3-trimethylbicyclo[2.2.1]heptane-2-thiol
- Molecular formula
- C10H18S
- Molecular weight
- 170.31
Names & synonyms
PX5QXA9H2G2,3,3-TRIMETHYLBICYCLO[2.2.1]HEPTANE-2-THIOL94089-04-0EINECS 302-107-02,3,3-Trimethylbicyclo(2.2.1)heptane-2-thiolDTXSID60916512BICYCLO(2.2.1)HEPTANE-2-THIOL, 2,3,3-TRIMETHYL-RefChem:81193DTXCID901345474302-107-0UNII-PX5QXA9H2GDYSMZFZOVYDRLT-UHFFFAOYSA-N
Show more names
Bicyclo[2.2.1]heptane-2-thiol, 2,3,3-trimethyl-
NS00063947
Database identifiers
- CAS
94089-04-0- PubChem CID
- 44147347
- DTXSID
DTXSID60916512- UNII
- PX5QXA9H2G
- EC Number
- 302-107-0
- Nikkaji
- J288.581F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- FDA UNII
- 5 QXA9H2G · PX5QXA9H2G
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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