Ska-31

C₁₁H₈N₂SCAS 40172-65-4200.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₈N₂S
Molar mass: 200.26 g/mol
Exact mass: 200.0408 Da
Melting point: 235–237 °C
logP: 2.86Crippen estimate
Polar surface area: 39.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

40172-65-4

SMILES

N=c1[nH]c2c(ccc3ccccc32)s1

InChIKey

FECQXVPRUCCUIL-UHFFFAOYSA-N

InChI

InChI=1S/C11H8N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H2,12,13)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Naphtho[1,2-D]thiazol-2-amine
Naphtho[1,2-d]thiazole, 2-amino-
α-Naphthothiazole, 1-amino-
2-Aminonaphtho[1,2-d]thiazole
2-Aminonaphthiazole
NSC 6278
SKA 31

Work with Ska-31

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-4-chlorobenzothiazole19952-47-750 % similar 4-Bromo-1,3-benzothiazol-2-amine20358-02-550 % similar 2-Amino-4-methylbenzothiazole1477-42-549 % similar 2-Amino-4-benzothiazolol7471-03-649 % similar 2-Aminobenzothiazole136-95-848 % similar 4-Methoxy-2-benzothiazolamine5464-79-945 % similar Benzo(b)naphtho(1,2-d)thiophene205-43-642 % similar Benzo[a]carbazole239-01-042 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(4-Phenyl-1,3-thiazol-2-yl)acetonitrile41381-89-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook