Heptanoic acid, 7-isopropylthio-
Basic information
- CAS
101913-77-3- Standard SMILES
CC(C)SCCCCCCC(=O)O- InChIKey
NFWKZYBIWDXGQR-UHFFFAOYSA-N- Molecular formula
- C10H20O2S
- Average molar mass
- 204.33 g/mol
- Monoisotopic mass
- 204.11840105
Names & identifiers
- Preferred name
- Heptanoic acid, 7-isopropylthio-
- IUPAC
- 7-propan-2-ylsulfanylheptanoic acid
Names & synonyms
101913-77-3HEPTANOIC ACID, 7-ISOPROPYLTHIO-7-Isopropylthioheptanoic acidDTXSID60144333RefChem:347272DTXCID00668247-propan-2-ylsulfanylheptanoic acid7-(Isopropylthio)heptanoic acid7-[(Propan-2-yl)sulfanyl]heptanoic acidA1-05741
Database identifiers
- CAS
101913-77-3- PubChem CID
- 59089
- DTXSID
DTXSID60144333- Nikkaji
- J73.640F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 135
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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