7-propylbenzo[c]phenothiazine 12-oxide

C19H17NOS — CID 615576

IUPAC7-propylbenzo[c]phenothiazine 12-oxide
SMILESCCCN1c2ccccc2S(=O)c2c1ccc1ccccc21
InChIInChI=1S/C19H17NOS/c1-2-13-20-16-9-5-6-10-18(16)22(21)19-15-8-4-3-7-14(15)11-12-17(19)20/h3-12H,2,13H2,1H3
InChIKeyKSZGJEXHBADNEL-UHFFFAOYSA-N
MW307.42 g/mol
LogP4.87
Rot. Bonds2

About 7-propylbenzo[c]phenothiazine 12-oxide

7-propylbenzo[c]phenothiazine 12-oxide (PubChem CID 615576) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is 7-propylbenzo[c]phenothiazine 12-oxide.

Molecular Properties

Compound Name7-propylbenzo[c]phenothiazine 12-oxide
PubChem CID615576
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC Name7-propylbenzo[c]phenothiazine 12-oxide
SMILESCCCN1c2ccccc2S(=O)c2c1ccc1ccccc21
InChIInChI=1S/C19H17NOS/c1-2-13-20-16-9-5-6-10-18(16)22(21)19-15-8-4-3-7-14(15)11-12-17(19)20/h3-12H,2,13H2,1H3
InChIKeyKSZGJEXHBADNEL-UHFFFAOYSA-N
XLogP4.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-propylbenzo[c]phenothiazine 12-oxide?
The IUPAC name of 7-propylbenzo[c]phenothiazine 12-oxide (CID 615576) is 7-propylbenzo[c]phenothiazine 12-oxide.
What is the SMILES notation for 7-propylbenzo[c]phenothiazine 12-oxide?
The canonical SMILES for 7-propylbenzo[c]phenothiazine 12-oxide is CCCN1c2ccccc2S(=O)c2c1ccc1ccccc21.
What is the InChIKey of 7-propylbenzo[c]phenothiazine 12-oxide?
The InChIKey is KSZGJEXHBADNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS/c1-2-13-20-16-9-5-6-10-18(16)22(21)19-15-8-4-3-7-14(15)11-12-17(19)20/h3-12H,2,13H2,1H3.
What are the key properties of 7-propylbenzo[c]phenothiazine 12-oxide?
7-propylbenzo[c]phenothiazine 12-oxide has a molecular weight of 307.42 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propylbenzo[c]phenothiazine 12-oxide is sourced from PubChem (CID 615576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).