6,7-dihydro-[1]benzothiolo[3,2-b][1]benzofuran

C14H10OS — CID 155130932

IUPAC6,7-dihydro-[1]benzothiolo[3,2-b][1]benzofuran
SMILESC1=Cc2c(oc3c2sc2ccccc23)CC1
InChIInChI=1S/C14H10OS/c1-3-7-11-9(5-1)14-13(15-11)10-6-2-4-8-12(10)16-14/h1-2,4-6,8H,3,7H2
InChIKeyIXHQLSDIWUBKTA-UHFFFAOYSA-N
MW226.30 g/mol
LogP4.61
Rot. Bonds

About 6,7-dihydro-[1]benzothiolo[3,2-b][1]benzofuran

6,7-dihydro-[1]benzothiolo[3,2-b][1]benzofuran (PubChem CID 155130932) has the molecular formula C14H10OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 6,7-dihydro-[1]benzothiolo[3,2-b][1]benzofuran.

Molecular Properties

Compound Name6,7-dihydro-[1]benzothiolo[3,2-b][1]benzofuran
PubChem CID155130932
Molecular FormulaC14H10OS
Molecular Weight226.30 g/mol
Exact Mass226.05
IUPAC Name6,7-dihydro-[1]benzothiolo[3,2-b][1]benzofuran
SMILESC1=Cc2c(oc3c2sc2ccccc23)CC1
InChIInChI=1S/C14H10OS/c1-3-7-11-9(5-1)14-13(15-11)10-6-2-4-8-12(10)16-14/h1-2,4-6,8H,3,7H2
InChIKeyIXHQLSDIWUBKTA-UHFFFAOYSA-N
XLogP4.61
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

11-oxa-3-thiapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
CID 102133672
1-[10-(6,7-dihydrodibenzofuran-4-yl)anthracen-9-yl]dibenzofuran
CID 135208618
2-[11,17-di(dibenzothiophen-2-yl)-24-(6,7-dihydrodibenzothiophen-2-yl)-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15(20),16,18,21(26),22,24-tridecaenyl]dibenzothiophene
CID 89132816
4-dibenzothiophen-2-yl-2-(6,7-dihydrodibenzofuran-2-yl)-N-phenylaniline
CID 166714643
2-dibenzothiophen-4-yl-4-[4-[8-(6,7-dihydrodibenzofuran-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 167008444
3-dibenzothiophen-4-yl-2-(1,2,7,8-tetrahydrocarbazol-9-yl)aniline
CID 126596666
17-[10-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,15(20),16,18-nonaen-17-yl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 163588909
N-(4-dibenzothiophen-4-ylphenyl)-4-(6,7-dihydrodibenzothiophen-4-yl)-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline
CID 131994040
2-[6-(9-oxo-5,6-dihydroxanthen-2-yl)dibenzothiophen-4-yl]xanthen-9-one
CID 123670275
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-1-yl-4-phenyl-6,7-dihydrodibenzofuran-1-amine
CID 163880777
9,21-dioxa-18-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 45139849
9,10-dichloro-1,2-dihydroanthracene
CID 154158053

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-[1]benzothiolo[3,2-b][1]benzofuran?
The IUPAC name of 6,7-dihydro-[1]benzothiolo[3,2-b][1]benzofuran (CID 155130932) is 6,7-dihydro-[1]benzothiolo[3,2-b][1]benzofuran.
What is the SMILES notation for 6,7-dihydro-[1]benzothiolo[3,2-b][1]benzofuran?
The canonical SMILES for 6,7-dihydro-[1]benzothiolo[3,2-b][1]benzofuran is C1=Cc2c(oc3c2sc2ccccc23)CC1.
What is the InChIKey of 6,7-dihydro-[1]benzothiolo[3,2-b][1]benzofuran?
The InChIKey is IXHQLSDIWUBKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10OS/c1-3-7-11-9(5-1)14-13(15-11)10-6-2-4-8-12(10)16-14/h1-2,4-6,8H,3,7H2.
What are the key properties of 6,7-dihydro-[1]benzothiolo[3,2-b][1]benzofuran?
6,7-dihydro-[1]benzothiolo[3,2-b][1]benzofuran has a molecular weight of 226.30 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-[1]benzothiolo[3,2-b][1]benzofuran is sourced from PubChem (CID 155130932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).