3-(2-sulfanylphenothiazin-10-yl)propan-1-ol

C15H15NOS2 — CID 143629094

IUPAC3-(2-sulfanylphenothiazin-10-yl)propan-1-ol
SMILESOCCCN1c2ccccc2Sc2ccc(S)cc21
InChIInChI=1S/C15H15NOS2/c17-9-3-8-16-12-4-1-2-5-14(12)19-15-7-6-11(18)10-13(15)16/h1-2,4-7,10,17-18H,3,8-9H2
InChIKeyDGRMQACWUUNUHV-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.96
Rot. Bonds3

About 3-(2-sulfanylphenothiazin-10-yl)propan-1-ol

3-(2-sulfanylphenothiazin-10-yl)propan-1-ol (PubChem CID 143629094) has the molecular formula C15H15NOS2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(2-sulfanylphenothiazin-10-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-sulfanylphenothiazin-10-yl)propan-1-ol
PubChem CID143629094
Molecular FormulaC15H15NOS2
Molecular Weight289.42 g/mol
Exact Mass289.06
IUPAC Name3-(2-sulfanylphenothiazin-10-yl)propan-1-ol
SMILESOCCCN1c2ccccc2Sc2ccc(S)cc21
InChIInChI=1S/C15H15NOS2/c17-9-3-8-16-12-4-1-2-5-14(12)19-15-7-6-11(18)10-13(15)16/h1-2,4-7,10,17-18H,3,8-9H2
InChIKeyDGRMQACWUUNUHV-UHFFFAOYSA-N
XLogP3.96
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenothiazin-10-yl)propan-1-ol
CID 163458253
2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
CID 67474879
3-phenothiazin-10-ylpropan-1-amine
CID 11079240
10-butylphenothiazine;propane
CID 177020956
10-(4-bromobutyl)phenothiazine
CID 14549797
2-(2-chlorophenothiazin-10-yl)ethanamine
CID 71258304
3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine
CID 163912126
10-butylphenothiazine;hydrate;tetrahydroiodide
CID 173485866
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;10H-phenothiazine
CID 18787839
10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol
CID 57369155
3-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]propane-1,2-diol
CID 160894276
3-bromo-10-butylphenothiazine
CID 118645925

Frequently Asked Questions

What is the IUPAC name of 3-(2-sulfanylphenothiazin-10-yl)propan-1-ol?
The IUPAC name of 3-(2-sulfanylphenothiazin-10-yl)propan-1-ol (CID 143629094) is 3-(2-sulfanylphenothiazin-10-yl)propan-1-ol.
What is the SMILES notation for 3-(2-sulfanylphenothiazin-10-yl)propan-1-ol?
The canonical SMILES for 3-(2-sulfanylphenothiazin-10-yl)propan-1-ol is OCCCN1c2ccccc2Sc2ccc(S)cc21.
What is the InChIKey of 3-(2-sulfanylphenothiazin-10-yl)propan-1-ol?
The InChIKey is DGRMQACWUUNUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS2/c17-9-3-8-16-12-4-1-2-5-14(12)19-15-7-6-11(18)10-13(15)16/h1-2,4-7,10,17-18H,3,8-9H2.
What are the key properties of 3-(2-sulfanylphenothiazin-10-yl)propan-1-ol?
3-(2-sulfanylphenothiazin-10-yl)propan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-sulfanylphenothiazin-10-yl)propan-1-ol is sourced from PubChem (CID 143629094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).