N-methyl-N,N'-bis(methylaminosulfanyl)methanimidamide

C4H12N4S2 — CID 139538674

IUPACN-methyl-N,N'-bis(methylaminosulfanyl)methanimidamide
SMILESCNSN=CN(C)SNC
InChIInChI=1S/C4H12N4S2/c1-5-9-7-4-8(3)10-6-2/h4-6H,1-3H3
InChIKeyOJXMZEACSADAOH-UHFFFAOYSA-N
MW180.30 g/mol
LogP0.51
Rot. Bonds5

About N-methyl-N,N'-bis(methylaminosulfanyl)methanimidamide

N-methyl-N,N'-bis(methylaminosulfanyl)methanimidamide (PubChem CID 139538674) has the molecular formula C4H12N4S2 and a molecular weight of 180.30 g/mol. Its IUPAC name is N-methyl-N,N'-bis(methylaminosulfanyl)methanimidamide.

Molecular Properties

Compound NameN-methyl-N,N'-bis(methylaminosulfanyl)methanimidamide
PubChem CID139538674
Molecular FormulaC4H12N4S2
Molecular Weight180.30 g/mol
Exact Mass180.05
IUPAC NameN-methyl-N,N'-bis(methylaminosulfanyl)methanimidamide
SMILESCNSN=CN(C)SNC
InChIInChI=1S/C4H12N4S2/c1-5-9-7-4-8(3)10-6-2/h4-6H,1-3H3
InChIKeyOJXMZEACSADAOH-UHFFFAOYSA-N
XLogP0.51
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(propylideneamino)sulfanylmethanamine
CID 174022554
N-(ethenyldiazenyl)sulfanylmethanamine
CID 88969932
N,N-dimethyl-N'-methylsulfanylmethanimidamide
CID 123753602
N-[(Z)-ethylideneamino]-N-(methylamino)methanamine
CID 143324683
N,N-dimethylmethanamine;N-methylmethanamine
CID 22481130
(Z)-N'-chloro-N,N'-dimethylethene-1,2-diamine
CID 170081505
ethane;1-ethenyl-1,2,3-trimethylguanidine
CID 170952169
methyl-methylidene-(methyliminomethylsulfanyl)azanium
CID 88935181
(Z)-N-[(Z)-ethylideneamino]-N-methylbut-2-en-2-amine
CID 143601862
N-amino-N'-(ethylideneamino)-N-methylmethanimidamide
CID 91356723
N-[[[dimethylamino(ethylsulfanyl)methyl]amino]methyl]-N'-methylmethanimidamide
CID 123494037
CID 58613474
CID 58613474

Frequently Asked Questions

What is the IUPAC name of N-methyl-N,N'-bis(methylaminosulfanyl)methanimidamide?
The IUPAC name of N-methyl-N,N'-bis(methylaminosulfanyl)methanimidamide (CID 139538674) is N-methyl-N,N'-bis(methylaminosulfanyl)methanimidamide.
What is the SMILES notation for N-methyl-N,N'-bis(methylaminosulfanyl)methanimidamide?
The canonical SMILES for N-methyl-N,N'-bis(methylaminosulfanyl)methanimidamide is CNSN=CN(C)SNC.
What is the InChIKey of N-methyl-N,N'-bis(methylaminosulfanyl)methanimidamide?
The InChIKey is OJXMZEACSADAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4S2/c1-5-9-7-4-8(3)10-6-2/h4-6H,1-3H3.
What are the key properties of N-methyl-N,N'-bis(methylaminosulfanyl)methanimidamide?
N-methyl-N,N'-bis(methylaminosulfanyl)methanimidamide has a molecular weight of 180.30 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,N'-bis(methylaminosulfanyl)methanimidamide is sourced from PubChem (CID 139538674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).