[1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline

C12H6N4S — CID 56941578

IUPAC[1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline
SMILESc1cnc2c(c1)c1nsnc1c1cccnc12
InChIInChI=1S/C12H6N4S/c1-3-7-9(13-5-1)10-8(4-2-6-14-10)12-11(7)15-17-16-12/h1-6H
InChIKeyZKYLQHPERJLTRL-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.79
Rot. Bonds

About [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline

[1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline (PubChem CID 56941578) has the molecular formula C12H6N4S and a molecular weight of 238.28 g/mol. Its IUPAC name is [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline.

Molecular Properties

Compound Name[1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline
PubChem CID56941578
Molecular FormulaC12H6N4S
Molecular Weight238.28 g/mol
Exact Mass238.03
IUPAC Name[1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline
SMILESc1cnc2c(c1)c1nsnc1c1cccnc12
InChIInChI=1S/C12H6N4S/c1-3-7-9(13-5-1)10-8(4-2-6-14-10)12-11(7)15-17-16-12/h1-6H
InChIKeyZKYLQHPERJLTRL-UHFFFAOYSA-N
XLogP2.79
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

dichloromethane;iron(2+);bis([1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline);diisothiocyanate
CID 139194474
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
19-thia-6,9,15,18,20,25-hexazahexacyclo[12.11.0.02,7.08,13.016,24.017,21]pentacosa-1(25),2(7),3,5,8(13),9,11,14,16(24),17,20,22-dodecaene
CID 24882707
azanide;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;ruthenium
CID 164779457
naphtho[2,3-f][1,10]phenanthroline
CID 15381524
iridium(3+);bis(phenanthro[9,10-b]pyrazine)
CID 160728362
quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline
CID 118008961
[1]benzothiolo[3,2-b]pyridine
CID 174218515
3,8-dithia-13-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene
CID 174903918
[1,2,5]thiadiazolo[3,4-c]azepin-4-one
CID 172806104
2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline
CID 101089450
5,6-dimethyl-1,7-phenanthroline
CID 67494959

Frequently Asked Questions

What is the IUPAC name of [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline?
The IUPAC name of [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline (CID 56941578) is [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline.
What is the SMILES notation for [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline?
The canonical SMILES for [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline is c1cnc2c(c1)c1nsnc1c1cccnc12.
What is the InChIKey of [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline?
The InChIKey is ZKYLQHPERJLTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N4S/c1-3-7-9(13-5-1)10-8(4-2-6-14-10)12-11(7)15-17-16-12/h1-6H.
What are the key properties of [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline?
[1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline has a molecular weight of 238.28 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline is sourced from PubChem (CID 56941578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).