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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 58708Generated: November 4, 2026

Isothiocyanic acid, 2-bromoallyl ester

https://huagongshe.com/en/chemical/58708

Isothiocyanic acid, 2-bromoallyl ester molecular structure

Identifiers & Physical Properties

CAS No.101670-63-7
Molecular formulaC4H4BrNS
Average molar mass178.05 g/mol
Monoisotopic mass176.92478 g/mol
SMILESC=C(Br)CN=C=S
InChIKeyOVLGERKAQNKJRX-UHFFFAOYSA-N
PubChem CID58708
DTXSIDDTXSID90144109

Chemical & Physical Properties

XLogP2.9
Topological polar surface area44.5
Hydrogen bond donors0
Hydrogen bond acceptors2
Rotatable bonds2
Heavy atoms7
Formal charge0
Complexity115