17-alpha-Mercaptoestra-1,3,5(10)-trien-3-ol

HCID 23920

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 10329-87-0
Standard SMILES: CC12CCC3c4ccc(O)cc4CCC3C1CCC2S
InChIKey: BXHVPEXIOIUONM-UHFFFAOYSA-N
Molecular formula: C18H24OS
Average molar mass: 288.4 g/mol
Monoisotopic mass: 288.15478656

Names & identifiers

Preferred name: 17-alpha-Mercaptoestra-1,3,5(10)-trien-3-ol
IUPAC: 13-methyl-17-sulfanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

Names & synonyms

17-alpha-Mercaptoestra-1,3,5(10)-trien-3-ol10329-87-07438-72-4NSC-524450NSC524449DTXSID60908311NSC524450NSC-52444917-Sulfanylestra-1(10),2,4-trien-3-olEstra-1,5(10)-trien-3-ol, 17-mercapto-, 17-alpha-

Database identifiers

CAS: 10329-87-0、7438-72-4
PubChem CID: 23920
DTXSID: DTXSID60908311

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 21.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 20
Formal charge: 0
Complexity: 384

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…