(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-thiocyanatoacetate

CAS: 20285-28-3

Molecular Formula	`C13H19NO2S`
Molecular Weight	253.36 g/mol
LogP	4.0
Topological Polar Surface Area	75.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	253.11365
Heavy Atoms	17
Complexity	384.0

Chemical Identifiers

CAS Number	20285-28-3
SMILES	`CC1(C2CCC1(C(C2)OC(=O)CSC#N)C)C`
InChIKey	`IXEVGHXRXDBAOB-UHFFFAOYSA-N`

📖 Product Overview

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-thiocyanatoacetate (CAS: 20285-28-3) is a chemical compound with molecular formula C13H19NO2S and molecular weight 253.36 g/mol. Its IUPAC systematic name is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-thiocyanatoacetate. LogP 4.0 Topological Polar Surface Area 75.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 253.11365 Heavy Atoms 17 Complexity 384.0 InChI Key: IXEVGHXRXDBAOB-UHFFFAOYSA-N. SMILES: CC1(C2CCC1(C(C2)OC(=O)CSC#N)C)C.

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