3-anthracen-1-ylsulfanylpropan-1-ol

C17H16OS — CID 175024466

IUPAC3-anthracen-1-ylsulfanylpropan-1-ol
SMILESOCCCSc1cccc2cc3ccccc3cc12
InChIInChI=1S/C17H16OS/c18-9-4-10-19-17-8-3-7-15-11-13-5-1-2-6-14(13)12-16(15)17/h1-3,5-8,11-12,18H,4,9-10H2
InChIKeyMOBVSSAOEQEGCB-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.47
Rot. Bonds4

About 3-anthracen-1-ylsulfanylpropan-1-ol

3-anthracen-1-ylsulfanylpropan-1-ol (PubChem CID 175024466) has the molecular formula C17H16OS and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-anthracen-1-ylsulfanylpropan-1-ol.

Molecular Properties

Compound Name3-anthracen-1-ylsulfanylpropan-1-ol
PubChem CID175024466
Molecular FormulaC17H16OS
Molecular Weight268.38 g/mol
Exact Mass268.09
IUPAC Name3-anthracen-1-ylsulfanylpropan-1-ol
SMILESOCCCSc1cccc2cc3ccccc3cc12
InChIInChI=1S/C17H16OS/c18-9-4-10-19-17-8-3-7-15-11-13-5-1-2-6-14(13)12-16(15)17/h1-3,5-8,11-12,18H,4,9-10H2
InChIKeyMOBVSSAOEQEGCB-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-hydroxysulfanylanthracene
CID 90092868
2,13-bis(decylsulfanyl)tricyclo[12.8.0.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 154692254
4-tetracen-1-ylbutan-1-ol
CID 87369368
anthracene;ethane-1,2-diol
CID 158405305
N,N-dimethyl-3-naphthalen-1-ylsulfanylpropan-1-amine
CID 46892772
1-(3-phenylsulfanylpropoxy)anthracene
CID 158373238
3-[2-(methylaminomethyl)phenyl]sulfanylpropan-1-ol
CID 66126631
(1R)-1-[2-(3-hydroxypropylsulfanyl)phenyl]propan-1-ol
CID 103960848
2-(3-hydroxypropylsulfanyl)benzenesulfonamide
CID 66112944
1-(anthracen-2-yldisulfanyl)anthracene
CID 175353720
6-(2-chlorophenyl)sulfanylhexan-1-ol
CID 103736267
3-[2-(1-aminopropyl)phenyl]sulfanylpropan-1-ol
CID 112678713

Frequently Asked Questions

What is the IUPAC name of 3-anthracen-1-ylsulfanylpropan-1-ol?
The IUPAC name of 3-anthracen-1-ylsulfanylpropan-1-ol (CID 175024466) is 3-anthracen-1-ylsulfanylpropan-1-ol.
What is the SMILES notation for 3-anthracen-1-ylsulfanylpropan-1-ol?
The canonical SMILES for 3-anthracen-1-ylsulfanylpropan-1-ol is OCCCSc1cccc2cc3ccccc3cc12.
What is the InChIKey of 3-anthracen-1-ylsulfanylpropan-1-ol?
The InChIKey is MOBVSSAOEQEGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16OS/c18-9-4-10-19-17-8-3-7-15-11-13-5-1-2-6-14(13)12-16(15)17/h1-3,5-8,11-12,18H,4,9-10H2.
What are the key properties of 3-anthracen-1-ylsulfanylpropan-1-ol?
3-anthracen-1-ylsulfanylpropan-1-ol has a molecular weight of 268.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anthracen-1-ylsulfanylpropan-1-ol is sourced from PubChem (CID 175024466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).