N'-methanimidoyl-N-methylsulfanylmethanimidamide

C3H7N3S — CID 176543059

IUPACN'-methanimidoyl-N-methylsulfanylmethanimidamide
SMILESCSNC=NC=N
InChIInChI=1S/C3H7N3S/c1-7-6-3-5-2-4/h2-3H,1H3,(H2,4,5,6)
InChIKeyQHTSRRMYLLQSQE-UHFFFAOYSA-N
MW117.18 g/mol
LogP0.20
Rot. Bonds3

About N'-methanimidoyl-N-methylsulfanylmethanimidamide

N'-methanimidoyl-N-methylsulfanylmethanimidamide (PubChem CID 176543059) has the molecular formula C3H7N3S and a molecular weight of 117.18 g/mol. Its IUPAC name is N'-methanimidoyl-N-methylsulfanylmethanimidamide.

Molecular Properties

Compound NameN'-methanimidoyl-N-methylsulfanylmethanimidamide
PubChem CID176543059
Molecular FormulaC3H7N3S
Molecular Weight117.18 g/mol
Exact Mass117.04
IUPAC NameN'-methanimidoyl-N-methylsulfanylmethanimidamide
SMILESCSNC=NC=N
InChIInChI=1S/C3H7N3S/c1-7-6-3-5-2-4/h2-3H,1H3,(H2,4,5,6)
InChIKeyQHTSRRMYLLQSQE-UHFFFAOYSA-N
XLogP0.20
TPSA73.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity70

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.18
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2,4-Thiadiazoline
CID 19831810
2,5-Dihydro-1,2,4-thiadiazol-5-amine
CID 21289847
N-(iodomethylsulfanyl)-N'-methylmethanimidamide
CID 89562706
N'-methyl-N-methylsulfanylmethanimidamide
CID 123437875
N'-methyl-N-sulfanylmethanimidamide
CID 142108131

Frequently Asked Questions

What is the IUPAC name of N'-methanimidoyl-N-methylsulfanylmethanimidamide?
The IUPAC name of N'-methanimidoyl-N-methylsulfanylmethanimidamide (CID 176543059) is N'-methanimidoyl-N-methylsulfanylmethanimidamide.
What is the SMILES notation for N'-methanimidoyl-N-methylsulfanylmethanimidamide?
The canonical SMILES for N'-methanimidoyl-N-methylsulfanylmethanimidamide is CSNC=NC=N.
What is the InChIKey of N'-methanimidoyl-N-methylsulfanylmethanimidamide?
The InChIKey is QHTSRRMYLLQSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3S/c1-7-6-3-5-2-4/h2-3H,1H3,(H2,4,5,6).
What are the key properties of N'-methanimidoyl-N-methylsulfanylmethanimidamide?
N'-methanimidoyl-N-methylsulfanylmethanimidamide has a molecular weight of 117.18 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methanimidoyl-N-methylsulfanylmethanimidamide is sourced from PubChem (CID 176543059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).