(8,9,10,12-tetrahydro-7H-tetracen-5-ylideneamino)thiourea

C19H19N3S — CID 86733422

IUPAC(8,9,10,12-tetrahydro-7H-tetracen-5-ylideneamino)thiourea
SMILESNC(=S)NN=C1c2ccccc2Cc2cc3c(cc21)CCCC3
InChIInChI=1S/C19H19N3S/c20-19(23)22-21-18-16-8-4-3-7-14(16)10-15-9-12-5-1-2-6-13(12)11-17(15)18/h3-4,7-9,11H,1-2,5-6,10H2,(H3,20,22,23)
InChIKeyHCPFAQOMPNRUIO-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.06
Rot. Bonds1

About (8,9,10,12-tetrahydro-7H-tetracen-5-ylideneamino)thiourea

(8,9,10,12-tetrahydro-7H-tetracen-5-ylideneamino)thiourea (PubChem CID 86733422) has the molecular formula C19H19N3S and a molecular weight of 321.45 g/mol. Its IUPAC name is (8,9,10,12-tetrahydro-7H-tetracen-5-ylideneamino)thiourea.

Molecular Properties

Compound Name(8,9,10,12-tetrahydro-7H-tetracen-5-ylideneamino)thiourea
PubChem CID86733422
Molecular FormulaC19H19N3S
Molecular Weight321.45 g/mol
Exact Mass321.13
IUPAC Name(8,9,10,12-tetrahydro-7H-tetracen-5-ylideneamino)thiourea
SMILESNC(=S)NN=C1c2ccccc2Cc2cc3c(cc21)CCCC3
InChIInChI=1S/C19H19N3S/c20-19(23)22-21-18-16-8-4-3-7-14(16)10-15-9-12-5-1-2-6-13(12)11-17(15)18/h3-4,7-9,11H,1-2,5-6,10H2,(H3,20,22,23)
InChIKeyHCPFAQOMPNRUIO-UHFFFAOYSA-N
XLogP3.06
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8,9,10,12-tetrahydro-7H-tetracen-5-ylideneamino)thiourea?
The IUPAC name of (8,9,10,12-tetrahydro-7H-tetracen-5-ylideneamino)thiourea (CID 86733422) is (8,9,10,12-tetrahydro-7H-tetracen-5-ylideneamino)thiourea.
What is the SMILES notation for (8,9,10,12-tetrahydro-7H-tetracen-5-ylideneamino)thiourea?
The canonical SMILES for (8,9,10,12-tetrahydro-7H-tetracen-5-ylideneamino)thiourea is NC(=S)NN=C1c2ccccc2Cc2cc3c(cc21)CCCC3.
What is the InChIKey of (8,9,10,12-tetrahydro-7H-tetracen-5-ylideneamino)thiourea?
The InChIKey is HCPFAQOMPNRUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3S/c20-19(23)22-21-18-16-8-4-3-7-14(16)10-15-9-12-5-1-2-6-13(12)11-17(15)18/h3-4,7-9,11H,1-2,5-6,10H2,(H3,20,22,23).
What are the key properties of (8,9,10,12-tetrahydro-7H-tetracen-5-ylideneamino)thiourea?
(8,9,10,12-tetrahydro-7H-tetracen-5-ylideneamino)thiourea has a molecular weight of 321.45 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8,9,10,12-tetrahydro-7H-tetracen-5-ylideneamino)thiourea is sourced from PubChem (CID 86733422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).