Di(3-thienyl)methanol

HCID 288490

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 31936-92-2
Standard SMILES: OC(c1ccsc1)c1ccsc1
InChIKey: USUFQQNJNBFWNW-UHFFFAOYSA-N
Molecular formula: C9H8OS2
Average molar mass: 196.3 g/mol
Monoisotopic mass: 196.00165722

Overview

structure in first source

Names & identifiers

Preferred name: Di(3-thienyl)methanol
IUPAC: di(thiophen-3-yl)methanol

Names & synonyms

Di(3-thienyl)methanol31936-92-2DTXSID70185772RefChem:132460DTXCID10108263di(thiophen-3-yl)methanolNSC149702Di-thiophen-3-yl-methanol3-Thiophenemethanol, a-3-thienyl-NSC 149702bis(3-thienyl)methanol1,1-di(3-thienyl)methanol

Show more names

1,1-di(3-thienyl)-methanolSCHEMBL5104539USUFQQNJNBFWNW-UHFFFAOYSA-NMFCD21125860AKOS000278605NSC-149702SY469600DB-220303

Database identifiers

CAS: 31936-92-2
PubChem CID: 288490
DTXSID: DTXSID70185772

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 76.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 135

Related reactions

8 records

New reaction record

HRID 742466As productuspto-grants-1996_09

HRID 823821As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 865977As productuspto-grants-1996_10

HRID 1451345As productuspto-grants-1997_02

HRID 1548359As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1780891As productuspto-grants-1997_05

HRID 2115202As productuspto-grants-2008_10

HRID 2115203As reactantuspto-grants-2008_10

Compound notes

Loading…