2,3-dihydroanthracen-9-ylmethanethiol

C15H14S — CID 88940343

IUPAC2,3-dihydroanthracen-9-ylmethanethiol
SMILESSCc1c2c(cc3ccccc13)=CCCC=2
InChIInChI=1S/C15H14S/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1,3,5-9,16H,2,4,10H2
InChIKeyCRGLPQWOLWDIFS-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.62
Rot. Bonds1

About 2,3-dihydroanthracen-9-ylmethanethiol

2,3-dihydroanthracen-9-ylmethanethiol (PubChem CID 88940343) has the molecular formula C15H14S and a molecular weight of 226.34 g/mol. Its IUPAC name is 2,3-dihydroanthracen-9-ylmethanethiol.

Molecular Properties

Compound Name2,3-dihydroanthracen-9-ylmethanethiol
PubChem CID88940343
Molecular FormulaC15H14S
Molecular Weight226.34 g/mol
Exact Mass226.08
IUPAC Name2,3-dihydroanthracen-9-ylmethanethiol
SMILESSCc1c2c(cc3ccccc13)=CCCC=2
InChIInChI=1S/C15H14S/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1,3,5-9,16H,2,4,10H2
InChIKeyCRGLPQWOLWDIFS-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

9,10-dihydronaphtho[1,2-b]phenanthrene
CID 102065231
ethane;9-ethyl-2-methyl-2,3-dihydroanthracene
CID 143572983
4-methyl-2H-cyclopenta[b]naphthalene
CID 143909705
2-(2-methyl-2,3-dihydroanthracen-9-yl)acetaldehyde
CID 145016291
12-methyl-2,3-dihydrochrysene
CID 91327543
anthracen-9-ylmethyloxidanium
CID 143222944
9-(anthracen-9-ylmethyl)anthracene;ethane
CID 91026872
9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene
CID 12570915
30-(6,7-dihydronaphthalen-1-yl)-16-naphthalen-1-yl-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3(12),4,6,8,10,13,17,19,23,25(29),26-tridecaene
CID 89300990
naphtho[1,2-b]phenanthrene
CID 5889
2-(anthracen-9-ylmethyl)oxirane
CID 54367420
1,3-di(anthracen-9-yl)propan-2-ol
CID 14980286

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroanthracen-9-ylmethanethiol?
The IUPAC name of 2,3-dihydroanthracen-9-ylmethanethiol (CID 88940343) is 2,3-dihydroanthracen-9-ylmethanethiol.
What is the SMILES notation for 2,3-dihydroanthracen-9-ylmethanethiol?
The canonical SMILES for 2,3-dihydroanthracen-9-ylmethanethiol is SCc1c2c(cc3ccccc13)=CCCC=2.
What is the InChIKey of 2,3-dihydroanthracen-9-ylmethanethiol?
The InChIKey is CRGLPQWOLWDIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14S/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1,3,5-9,16H,2,4,10H2.
What are the key properties of 2,3-dihydroanthracen-9-ylmethanethiol?
2,3-dihydroanthracen-9-ylmethanethiol has a molecular weight of 226.34 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroanthracen-9-ylmethanethiol is sourced from PubChem (CID 88940343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).