N-methylthiophen-3-imine

C5H7NS — CID 145323687

IUPACN-methylthiophen-3-imine
SMILESC/N=C1\C=CSC1
InChIInChI=1S/C5H7NS/c1-6-5-2-3-7-4-5/h2-3H,4H2,1H3/b6-5+
InChIKeyDZGYMPWZKZMDQJ-AATRIKPKSA-N
MW113.18 g/mol
LogP1.32
Rot. Bonds

About N-methylthiophen-3-imine

N-methylthiophen-3-imine (PubChem CID 145323687) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is N-methylthiophen-3-imine.

Molecular Properties

Compound NameN-methylthiophen-3-imine
PubChem CID145323687
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC NameN-methylthiophen-3-imine
SMILESC/N=C1\C=CSC1
InChIInChI=1S/C5H7NS/c1-6-5-2-3-7-4-5/h2-3H,4H2,1H3/b6-5+
InChIKeyDZGYMPWZKZMDQJ-AATRIKPKSA-N
XLogP1.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Thiazologermole
CID 167530643
N-propan-2-ylthiophen-3-imine
CID 19384798
4-methyl-2H-1,3-thiazine
CID 123627160
(Z)-N-methyl-4-methylsulfanylbut-3-en-2-imine
CID 138478171
2,4-dimethyl-2H-1,3-thiazine
CID 141035957
N'-methyl-N-(2-methylidenethiophen-3-ylidene)methanimidamide
CID 146418644
Thiophen-3-ylidenecyanamide
CID 152781252
N-methyl-2,3-dihydrothiopyran-4-imine
CID 173505818
5-Ethenylidene-4-methyl-2,5-dihydro-1,3-thiazole
CID 71425886
(2E)-N-ethyl-2-ethylidenethiophen-3-imine
CID 144296092

Frequently Asked Questions

What is the IUPAC name of N-methylthiophen-3-imine?
The IUPAC name of N-methylthiophen-3-imine (CID 145323687) is N-methylthiophen-3-imine.
What is the SMILES notation for N-methylthiophen-3-imine?
The canonical SMILES for N-methylthiophen-3-imine is C/N=C1\C=CSC1.
What is the InChIKey of N-methylthiophen-3-imine?
The InChIKey is DZGYMPWZKZMDQJ-AATRIKPKSA-N. The full InChI is InChI=1S/C5H7NS/c1-6-5-2-3-7-4-5/h2-3H,4H2,1H3/b6-5+.
What are the key properties of N-methylthiophen-3-imine?
N-methylthiophen-3-imine has a molecular weight of 113.18 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylthiophen-3-imine is sourced from PubChem (CID 145323687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).