CID 142290538

C19H15NOS2 — CID 142290538

IUPAC—
SMILESCc1cc2c3ccccc3[nH]c2c2c1oc1ccccc12.SS
InChIInChI=1S/C19H13NO.H2S2/c1-11-10-14-12-6-2-4-8-15(12)20-18(14)17-13-7-3-5-9-16(13)21-19(11)17;1-2/h2-10,20H,1H3;1-2H
InChIKeyRQQOHIRUNQSMCA-UHFFFAOYSA-N
MW337.47 g/mol
LogP6.29
Rot. Bonds

About CID 142290538

CID 142290538 (PubChem CID 142290538) has the molecular formula C19H15NOS2 and a molecular weight of 337.47 g/mol.

Molecular Properties

Compound NameCID 142290538
PubChem CID142290538
Molecular FormulaC19H15NOS2
Molecular Weight337.47 g/mol
Exact Mass337.06
IUPAC Name—
SMILESCc1cc2c3ccccc3[nH]c2c2c1oc1ccccc12.SS
InChIInChI=1S/C19H13NO.H2S2/c1-11-10-14-12-6-2-4-8-15(12)20-18(14)17-13-7-3-5-9-16(13)21-19(11)17;1-2/h2-10,20H,1H3;1-2H
InChIKeyRQQOHIRUNQSMCA-UHFFFAOYSA-N
XLogP6.29
TPSA28.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 56.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

11,23-dimethyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 144608278
12H-[1]benzofuro[3,2-a]carbazole;ethane
CID 167453025
6-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one
CID 132564019
5-methyl-11H-benzo[a]carbazole
CID 6454977
12H-[1]benzofuro[2,3-a]carbazole;ethane
CID 145125553
3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 90219451
15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one
CID 118248383
4,11,12-trimethyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 146638375
11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 123841957
3-methyldibenzofuran-1,4-diamine
CID 68822096
1,2-dimethoxy-3-methyl-9H-carbazole
CID 121392171
9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole
CID 142742550

Frequently Asked Questions

What is the IUPAC name of CID 142290538?
The IUPAC name of CID 142290538 (CID 142290538) is not available.
What is the SMILES notation for CID 142290538?
The canonical SMILES for CID 142290538 is Cc1cc2c3ccccc3[nH]c2c2c1oc1ccccc12.SS.
What is the InChIKey of CID 142290538?
The InChIKey is RQQOHIRUNQSMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO.H2S2/c1-11-10-14-12-6-2-4-8-15(12)20-18(14)17-13-7-3-5-9-16(13)21-19(11)17;1-2/h2-10,20H,1H3;1-2H.
What are the key properties of CID 142290538?
CID 142290538 has a molecular weight of 337.47 g/mol, XLogP of 6.29, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142290538 is sourced from PubChem (CID 142290538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).