lithium 3,4-dihydro-2H-thiochromen-4-olate

C9H9LiOS — CID 20660965

IUPAClithium 3,4-dihydro-2H-thiochromen-4-olate
SMILES[Li+].[O-]C1CCSc2ccccc21
InChIInChI=1S/C9H9OS.Li/c10-8-5-6-11-9-4-2-1-3-7(8)9;/h1-4,8H,5-6H2;/q-1;+1
InChIKeyYGAMCPLHGCHODZ-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.41
Rot. Bonds

About lithium 3,4-dihydro-2H-thiochromen-4-olate

lithium 3,4-dihydro-2H-thiochromen-4-olate (PubChem CID 20660965) has the molecular formula C9H9LiOS and a molecular weight of 172.18 g/mol. Its IUPAC name is lithium 3,4-dihydro-2H-thiochromen-4-olate.

Molecular Properties

Compound Namelithium 3,4-dihydro-2H-thiochromen-4-olate
PubChem CID20660965
Molecular FormulaC9H9LiOS
Molecular Weight172.18 g/mol
Exact Mass172.05
IUPAC Namelithium 3,4-dihydro-2H-thiochromen-4-olate
SMILES[Li+].[O-]C1CCSc2ccccc21
InChIInChI=1S/C9H9OS.Li/c10-8-5-6-11-9-4-2-1-3-7(8)9;/h1-4,8H,5-6H2;/q-1;+1
InChIKeyYGAMCPLHGCHODZ-UHFFFAOYSA-N
XLogP-1.41
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-3,4-dihydro-2H-thiochromene
CID 70353401
ethane;4-methyl-3,4-dihydro-2H-thiochromene
CID 143216887
3,4-dihydro-2H-thiochromen-4-ylmethanamine
CID 82409281
CID 58450291
CID 58450291
3,4-dihydro-2H-thiochromen-4-ylboronic acid
CID 175595029
5-methyl-2,3,4,5-tetrahydro-1-benzothiepine
CID 19935526
3,4-dihydro-2H-thiochromen-4-yl methanesulfonate
CID 102620882
4-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]benzene-1,4-disulfonamide
CID 26529063
1-(3,4-dihydro-2H-thiochromen-4-yl)piperidin-4-amine
CID 43130869
ethane;4-propylsulfanyl-3,4-dihydro-2H-thiochromene
CID 142608891
N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine
CID 83006635
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,2-difluoropropan-1-ol
CID 113463339

Frequently Asked Questions

What is the IUPAC name of lithium 3,4-dihydro-2H-thiochromen-4-olate?
The IUPAC name of lithium 3,4-dihydro-2H-thiochromen-4-olate (CID 20660965) is lithium 3,4-dihydro-2H-thiochromen-4-olate.
What is the SMILES notation for lithium 3,4-dihydro-2H-thiochromen-4-olate?
The canonical SMILES for lithium 3,4-dihydro-2H-thiochromen-4-olate is [Li+].[O-]C1CCSc2ccccc21.
What is the InChIKey of lithium 3,4-dihydro-2H-thiochromen-4-olate?
The InChIKey is YGAMCPLHGCHODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9OS.Li/c10-8-5-6-11-9-4-2-1-3-7(8)9;/h1-4,8H,5-6H2;/q-1;+1.
What are the key properties of lithium 3,4-dihydro-2H-thiochromen-4-olate?
lithium 3,4-dihydro-2H-thiochromen-4-olate has a molecular weight of 172.18 g/mol, XLogP of -1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3,4-dihydro-2H-thiochromen-4-olate is sourced from PubChem (CID 20660965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).