7H-[1]benzothiolo[3,2-c]xanthene

C19H12OS — CID 135029452

IUPAC7H-[1]benzothiolo[3,2-c]xanthene
SMILESc1ccc2c(c1)Cc1ccc3c(sc4ccccc43)c1O2
InChIInChI=1S/C19H12OS/c1-3-7-16-12(5-1)11-13-9-10-15-14-6-2-4-8-17(14)21-19(15)18(13)20-16/h1-10H,11H2
InChIKeyDFIVXMYNLGFCIO-UHFFFAOYSA-N
MW288.37 g/mol
LogP5.75
Rot. Bonds

About 7H-[1]benzothiolo[3,2-c]xanthene

7H-[1]benzothiolo[3,2-c]xanthene (PubChem CID 135029452) has the molecular formula C19H12OS and a molecular weight of 288.37 g/mol. Its IUPAC name is 7H-[1]benzothiolo[3,2-c]xanthene.

Molecular Properties

Compound Name7H-[1]benzothiolo[3,2-c]xanthene
PubChem CID135029452
Molecular FormulaC19H12OS
Molecular Weight288.37 g/mol
Exact Mass288.06
IUPAC Name7H-[1]benzothiolo[3,2-c]xanthene
SMILESc1ccc2c(c1)Cc1ccc3c(sc4ccccc43)c1O2
InChIInChI=1S/C19H12OS/c1-3-7-16-12(5-1)11-13-9-10-15-14-6-2-4-8-17(14)21-19(15)18(13)20-16/h1-10H,11H2
InChIKeyDFIVXMYNLGFCIO-UHFFFAOYSA-N
XLogP5.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.37
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-[1]benzothiolo[3,2-h]chromen-2-one
CID 118716757
3-Chloro-4-methyl-[1]benzothiolo[3,2-h]chromen-2-one
CID 118716758
4-Methoxydibenzothiophene
CID 458354
4-Phenylmethoxybenzo[f][1]benzothiole
CID 16099001
6-[2-(2-Methoxyphenyl)-1-benzothiophen-3-yl]-2,3-dihydro-1,4-benzodioxine
CID 44142460
2,3-Bis(2-methoxyphenyl)-1-benzothiophene
CID 44142462
3-Phenoxy-2-phenyl-1-benzothiophene
CID 11150817
3-[4-(Methoxymethyl)phenyl]-2-(2-methoxyphenyl)-1-benzothiophene
CID 156602541
2-(3-Methoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]phenyl]-1-benzothiophene
CID 156602574
17-Methoxy-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 10615183
8-Methoxynaphtho[2,3-b][1]benzothiole
CID 12946621
3-Naphthalen-1-yloxy-1-benzothiophene
CID 18330360

Frequently Asked Questions

What is the IUPAC name of 7H-[1]benzothiolo[3,2-c]xanthene?
The IUPAC name of 7H-[1]benzothiolo[3,2-c]xanthene (CID 135029452) is 7H-[1]benzothiolo[3,2-c]xanthene.
What is the SMILES notation for 7H-[1]benzothiolo[3,2-c]xanthene?
The canonical SMILES for 7H-[1]benzothiolo[3,2-c]xanthene is c1ccc2c(c1)Cc1ccc3c(sc4ccccc43)c1O2.
What is the InChIKey of 7H-[1]benzothiolo[3,2-c]xanthene?
The InChIKey is DFIVXMYNLGFCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12OS/c1-3-7-16-12(5-1)11-13-9-10-15-14-6-2-4-8-17(14)21-19(15)18(13)20-16/h1-10H,11H2.
What are the key properties of 7H-[1]benzothiolo[3,2-c]xanthene?
7H-[1]benzothiolo[3,2-c]xanthene has a molecular weight of 288.37 g/mol, XLogP of 5.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-[1]benzothiolo[3,2-c]xanthene is sourced from PubChem (CID 135029452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).