chromeno[2,3-c]pyridine-5-thione;diphenylmethanethione;phenyl(pyridin-4-yl)methanethione

C37H26N2OS3 — CID 160695674

IUPACchromeno[2,3-c]pyridine-5-thione;diphenylmethanethione;phenyl(pyridin-4-yl)methanethione
SMILESS=C(c1ccccc1)c1ccccc1.S=C(c1ccccc1)c1ccncc1.S=c1c2ccccc2oc2cnccc12
InChIInChI=1S/C13H10S.C12H7NOS.C12H9NS/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;15-12-8-3-1-2-4-10(8)14-11-7-13-6-5-9(11)12;14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-10H;1-7H;1-9H
InChIKeyRPYSFFNDQKCJEL-UHFFFAOYSA-N
MW610.83 g/mol
LogP10.01
Rot. Bonds4

About chromeno[2,3-c]pyridine-5-thione;diphenylmethanethione;phenyl(pyridin-4-yl)methanethione

chromeno[2,3-c]pyridine-5-thione;diphenylmethanethione;phenyl(pyridin-4-yl)methanethione (PubChem CID 160695674) has the molecular formula C37H26N2OS3 and a molecular weight of 610.83 g/mol. Its IUPAC name is chromeno[2,3-c]pyridine-5-thione;diphenylmethanethione;phenyl(pyridin-4-yl)methanethione.

Molecular Properties

Compound Namechromeno[2,3-c]pyridine-5-thione;diphenylmethanethione;phenyl(pyridin-4-yl)methanethione
PubChem CID160695674
Molecular FormulaC37H26N2OS3
Molecular Weight610.83 g/mol
Exact Mass610.12
IUPAC Namechromeno[2,3-c]pyridine-5-thione;diphenylmethanethione;phenyl(pyridin-4-yl)methanethione
SMILESS=C(c1ccccc1)c1ccccc1.S=C(c1ccccc1)c1ccncc1.S=c1c2ccccc2oc2cnccc12
InChIInChI=1S/C13H10S.C12H7NOS.C12H9NS/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;15-12-8-3-1-2-4-10(8)14-11-7-13-6-5-9(11)12;14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-10H;1-7H;1-9H
InChIKeyRPYSFFNDQKCJEL-UHFFFAOYSA-N
XLogP10.01
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.83
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-chromeno[2,3-c]pyridin-5-ylidenehydroxylamine
CID 137205389
CID 171736783
CID 171736783
5-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785084
1-(9-sulfanylidenexanthen-2-yl)ethanone
CID 88754830
[1]benzofuro[3,2-c]pyridine;(Z)-but-2-enedioic acid
CID 70413591
ethane;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123322356
17-methyl-9,20-dioxa-6-aza-17-azoniaheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10,12,14(28),15,17,19(27),21,23,25-tridecaene
CID 118383937
6-pyridin-2-yl-[1]benzofuro[2,3-c]pyridine
CID 90140834
5-bromo-[1]benzofuro[2,3-c]pyridine
CID 166801895
N-(pyrido[3,4-b]indol-9-ylmethyl)benzenecarbothioamide
CID 88968342
5-oxochromeno[2,3-c]pyridine-7-carboxylic acid
CID 121468128
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 163838027

Frequently Asked Questions

What is the IUPAC name of chromeno[2,3-c]pyridine-5-thione;diphenylmethanethione;phenyl(pyridin-4-yl)methanethione?
The IUPAC name of chromeno[2,3-c]pyridine-5-thione;diphenylmethanethione;phenyl(pyridin-4-yl)methanethione (CID 160695674) is chromeno[2,3-c]pyridine-5-thione;diphenylmethanethione;phenyl(pyridin-4-yl)methanethione.
What is the SMILES notation for chromeno[2,3-c]pyridine-5-thione;diphenylmethanethione;phenyl(pyridin-4-yl)methanethione?
The canonical SMILES for chromeno[2,3-c]pyridine-5-thione;diphenylmethanethione;phenyl(pyridin-4-yl)methanethione is S=C(c1ccccc1)c1ccccc1.S=C(c1ccccc1)c1ccncc1.S=c1c2ccccc2oc2cnccc12.
What is the InChIKey of chromeno[2,3-c]pyridine-5-thione;diphenylmethanethione;phenyl(pyridin-4-yl)methanethione?
The InChIKey is RPYSFFNDQKCJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10S.C12H7NOS.C12H9NS/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;15-12-8-3-1-2-4-10(8)14-11-7-13-6-5-9(11)12;14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-10H;1-7H;1-9H.
What are the key properties of chromeno[2,3-c]pyridine-5-thione;diphenylmethanethione;phenyl(pyridin-4-yl)methanethione?
chromeno[2,3-c]pyridine-5-thione;diphenylmethanethione;phenyl(pyridin-4-yl)methanethione has a molecular weight of 610.83 g/mol, XLogP of 10.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chromeno[2,3-c]pyridine-5-thione;diphenylmethanethione;phenyl(pyridin-4-yl)methanethione is sourced from PubChem (CID 160695674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).