N-ethenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine;sulfane

C10H14N2S2 — CID 143290602

IUPACN-ethenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine;sulfane
SMILESC=C/N=C/c1nc2c(s1)CCCC2.S
InChIInChI=1S/C10H12N2S.H2S/c1-2-11-7-10-12-8-5-3-4-6-9(8)13-10;/h2,7H,1,3-6H2;1H2/b11-7+;
InChIKeyUZRSQSZAOQUBBU-RVDQCCQOSA-N
MW226.37 g/mol
LogP2.70
Rot. Bonds2

About N-ethenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine;sulfane

N-ethenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine;sulfane (PubChem CID 143290602) has the molecular formula C10H14N2S2 and a molecular weight of 226.37 g/mol. Its IUPAC name is N-ethenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine;sulfane.

Molecular Properties

Compound NameN-ethenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine;sulfane
PubChem CID143290602
Molecular FormulaC10H14N2S2
Molecular Weight226.37 g/mol
Exact Mass226.06
IUPAC NameN-ethenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine;sulfane
SMILESC=C/N=C/c1nc2c(s1)CCCC2.S
InChIInChI=1S/C10H12N2S.H2S/c1-2-11-7-10-12-8-5-3-4-6-9(8)13-10;/h2,7H,1,3-6H2;1H2/b11-7+;
InChIKeyUZRSQSZAOQUBBU-RVDQCCQOSA-N
XLogP2.70
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine;sulfane?
The IUPAC name of N-ethenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine;sulfane (CID 143290602) is N-ethenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine;sulfane.
What is the SMILES notation for N-ethenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine;sulfane?
The canonical SMILES for N-ethenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine;sulfane is C=C/N=C/c1nc2c(s1)CCCC2.S.
What is the InChIKey of N-ethenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine;sulfane?
The InChIKey is UZRSQSZAOQUBBU-RVDQCCQOSA-N. The full InChI is InChI=1S/C10H12N2S.H2S/c1-2-11-7-10-12-8-5-3-4-6-9(8)13-10;/h2,7H,1,3-6H2;1H2/b11-7+;.
What are the key properties of N-ethenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine;sulfane?
N-ethenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine;sulfane has a molecular weight of 226.37 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine;sulfane is sourced from PubChem (CID 143290602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).