3-methyl-7-prop-2-ynoxy-10H-phenothiazine

C16H13NOS — CID 162139868

IUPAC3-methyl-7-prop-2-ynoxy-10H-phenothiazine
SMILESC#CCOc1ccc2c(c1)Sc1cc(C)ccc1N2
InChIInChI=1S/C16H13NOS/c1-3-8-18-12-5-7-14-16(10-12)19-15-9-11(2)4-6-13(15)17-14/h1,4-7,9-10,17H,8H2,2H3
InChIKeyGSTNDPWRUNRSKA-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.22
Rot. Bonds2

About 3-methyl-7-prop-2-ynoxy-10H-phenothiazine

3-methyl-7-prop-2-ynoxy-10H-phenothiazine (PubChem CID 162139868) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-methyl-7-prop-2-ynoxy-10H-phenothiazine.

Molecular Properties

Compound Name3-methyl-7-prop-2-ynoxy-10H-phenothiazine
PubChem CID162139868
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name3-methyl-7-prop-2-ynoxy-10H-phenothiazine
SMILESC#CCOc1ccc2c(c1)Sc1cc(C)ccc1N2
InChIInChI=1S/C16H13NOS/c1-3-8-18-12-5-7-14-16(10-12)19-15-9-11(2)4-6-13(15)17-14/h1,4-7,9-10,17H,8H2,2H3
InChIKeyGSTNDPWRUNRSKA-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluoroethoxy)-7-methyl-10H-phenothiazine
CID 162139870
3-methoxy-7-methyl-10H-phenothiazine
CID 118537045
2,6-bis(prop-2-ynoxy)naphthalene
CID 12710422
2-bromo-1-methyl-4-prop-2-ynoxybenzene
CID 131137666
3-(7-methylthianthren-2-yl)-10H-phenothiazine
CID 175624592
1-ethoxy-4-prop-2-ynoxybenzene
CID 20701293
4-chloro-1-methyl-6-prop-2-ynoxyphthalazine
CID 59373037
2-methyl-4-prop-2-ynoxybenzaldehyde
CID 79119365
4-methyl-2-prop-2-ynoxyphenol
CID 130032474
5-methyl-2-[2-(10H-phenothiazin-3-yloxy)ethyl]-1H-pyrazol-3-one
CID 91935014
2-methyl-10H-phenothiazine
CID 611628
2,4-dimethyl-N-[(3-prop-2-ynoxyphenyl)methyl]aniline
CID 126126586

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-prop-2-ynoxy-10H-phenothiazine?
The IUPAC name of 3-methyl-7-prop-2-ynoxy-10H-phenothiazine (CID 162139868) is 3-methyl-7-prop-2-ynoxy-10H-phenothiazine.
What is the SMILES notation for 3-methyl-7-prop-2-ynoxy-10H-phenothiazine?
The canonical SMILES for 3-methyl-7-prop-2-ynoxy-10H-phenothiazine is C#CCOc1ccc2c(c1)Sc1cc(C)ccc1N2.
What is the InChIKey of 3-methyl-7-prop-2-ynoxy-10H-phenothiazine?
The InChIKey is GSTNDPWRUNRSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c1-3-8-18-12-5-7-14-16(10-12)19-15-9-11(2)4-6-13(15)17-14/h1,4-7,9-10,17H,8H2,2H3.
What are the key properties of 3-methyl-7-prop-2-ynoxy-10H-phenothiazine?
3-methyl-7-prop-2-ynoxy-10H-phenothiazine has a molecular weight of 267.35 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-prop-2-ynoxy-10H-phenothiazine is sourced from PubChem (CID 162139868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).