(9H-carbazol-1-yl-hydrazinyl-methyl-λ4-sulfanyl)methanethial

C14H15N3S2 — CID 175445758

IUPAC(9H-carbazol-1-yl-hydrazinyl-methyl-λ4-sulfanyl)methanethial
SMILESCS(C=S)(NN)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C14H15N3S2/c1-19(9-18,17-15)13-8-4-6-11-10-5-2-3-7-12(10)16-14(11)13/h2-9,16-17H,15H2,1H3
InChIKeyJFHHBRMVNCIRMB-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.45
Rot. Bonds3

About (9H-carbazol-1-yl-hydrazinyl-methyl-λ4-sulfanyl)methanethial

(9H-carbazol-1-yl-hydrazinyl-methyl-λ4-sulfanyl)methanethial (PubChem CID 175445758) has the molecular formula C14H15N3S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is (9H-carbazol-1-yl-hydrazinyl-methyl-λ4-sulfanyl)methanethial.

Molecular Properties

Compound Name(9H-carbazol-1-yl-hydrazinyl-methyl-λ4-sulfanyl)methanethial
PubChem CID175445758
Molecular FormulaC14H15N3S2
Molecular Weight289.43 g/mol
Exact Mass289.07
IUPAC Name(9H-carbazol-1-yl-hydrazinyl-methyl-λ4-sulfanyl)methanethial
SMILESCS(C=S)(NN)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C14H15N3S2/c1-19(9-18,17-15)13-8-4-6-11-10-5-2-3-7-12(10)16-14(11)13/h2-9,16-17H,15H2,1H3
InChIKeyJFHHBRMVNCIRMB-UHFFFAOYSA-N
XLogP3.45
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 (9H-carbazol-1-yl-hydrazinyl-methyl-λ4-sulfanyl)methanethial?
The IUPAC name of (9H-carbazol-1-yl-hydrazinyl-methyl-λ4-sulfanyl)methanethial (CID 175445758) is (9H-carbazol-1-yl-hydrazinyl-methyl-λ4-sulfanyl)methanethial.
What is the SMILES notation for (9H-carbazol-1-yl-hydrazinyl-methyl-λ4-sulfanyl)methanethial?
The canonical SMILES for (9H-carbazol-1-yl-hydrazinyl-methyl-λ4-sulfanyl)methanethial is CS(C=S)(NN)c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of (9H-carbazol-1-yl-hydrazinyl-methyl-λ4-sulfanyl)methanethial?
The InChIKey is JFHHBRMVNCIRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S2/c1-19(9-18,17-15)13-8-4-6-11-10-5-2-3-7-12(10)16-14(11)13/h2-9,16-17H,15H2,1H3.
What are the key properties of (9H-carbazol-1-yl-hydrazinyl-methyl-λ4-sulfanyl)methanethial?
(9H-carbazol-1-yl-hydrazinyl-methyl-λ4-sulfanyl)methanethial has a molecular weight of 289.43 g/mol, XLogP of 3.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9H-carbazol-1-yl-hydrazinyl-methyl-λ4-sulfanyl)methanethial is sourced from PubChem (CID 175445758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).