(2Z)-2-methoxysulfinylimino-3-methyl-1,3-benzothiazole

C9H10N2O2S2 — CID 5373904

IUPAC(2Z)-2-methoxysulfinylimino-3-methyl-1,3-benzothiazole
SMILESCOS(=O)/N=c1\sc2ccccc2n1C
InChIInChI=1S/C9H10N2O2S2/c1-11-7-5-3-4-6-8(7)14-9(11)10-15(12)13-2/h3-6H,1-2H3/b10-9-
InChIKeyAIDKYNPKEJBCTI-KTKRTIGZSA-N
MW242.33 g/mol
LogP1.37
Rot. Bonds2

About (2Z)-2-methoxysulfinylimino-3-methyl-1,3-benzothiazole

(2Z)-2-methoxysulfinylimino-3-methyl-1,3-benzothiazole (PubChem CID 5373904) has the molecular formula C9H10N2O2S2 and a molecular weight of 242.33 g/mol. Its IUPAC name is (2Z)-2-methoxysulfinylimino-3-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name(2Z)-2-methoxysulfinylimino-3-methyl-1,3-benzothiazole
PubChem CID5373904
Molecular FormulaC9H10N2O2S2
Molecular Weight242.33 g/mol
Exact Mass242.02
IUPAC Name(2Z)-2-methoxysulfinylimino-3-methyl-1,3-benzothiazole
SMILESCOS(=O)/N=c1\sc2ccccc2n1C
InChIInChI=1S/C9H10N2O2S2/c1-11-7-5-3-4-6-8(7)14-9(11)10-15(12)13-2/h3-6H,1-2H3/b10-9-
InChIKeyAIDKYNPKEJBCTI-KTKRTIGZSA-N
XLogP1.37
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;propanal
CID 175534018
ethyl N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate
CID 6013283
4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2330376
N-(1,3-benzothiazol-2-yl)-3-methyl-1,3-benzothiazol-2-imine
CID 71219201
(2R)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(2,2,2-trifluoroethoxy)propanamide
CID 98574529
[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiourea
CID 5407964
[(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiourea
CID 798473
3-methyl-N-(1-phenylethylideneamino)-1,3-benzothiazol-2-imine
CID 624557
3-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-imine
CID 14576036
2-[(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]pentanedioic acid
CID 4317148
N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-N-methylsulfonylbenzenesulfonamide
CID 131707347
2-(2-fluorophenoxy)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7942923

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-methoxysulfinylimino-3-methyl-1,3-benzothiazole?
The IUPAC name of (2Z)-2-methoxysulfinylimino-3-methyl-1,3-benzothiazole (CID 5373904) is (2Z)-2-methoxysulfinylimino-3-methyl-1,3-benzothiazole.
What is the SMILES notation for (2Z)-2-methoxysulfinylimino-3-methyl-1,3-benzothiazole?
The canonical SMILES for (2Z)-2-methoxysulfinylimino-3-methyl-1,3-benzothiazole is COS(=O)/N=c1\sc2ccccc2n1C.
What is the InChIKey of (2Z)-2-methoxysulfinylimino-3-methyl-1,3-benzothiazole?
The InChIKey is AIDKYNPKEJBCTI-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H10N2O2S2/c1-11-7-5-3-4-6-8(7)14-9(11)10-15(12)13-2/h3-6H,1-2H3/b10-9-.
What are the key properties of (2Z)-2-methoxysulfinylimino-3-methyl-1,3-benzothiazole?
(2Z)-2-methoxysulfinylimino-3-methyl-1,3-benzothiazole has a molecular weight of 242.33 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methoxysulfinylimino-3-methyl-1,3-benzothiazole is sourced from PubChem (CID 5373904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).