1,1-bis(methylsulfanyl)-N-pyridin-3-ylsulfanylmethanimine

C8H10N2S3 — CID 169235462

IUPAC1,1-bis(methylsulfanyl)-N-pyridin-3-ylsulfanylmethanimine
SMILESCSC(=NSc1cccnc1)SC
InChIInChI=1S/C8H10N2S3/c1-11-8(12-2)10-13-7-4-3-5-9-6-7/h3-6H,1-2H3
InChIKeyHNVUJHARQVLYIG-UHFFFAOYSA-N
MW230.38 g/mol
LogP3.17
Rot. Bonds2

About 1,1-bis(methylsulfanyl)-N-pyridin-3-ylsulfanylmethanimine

1,1-bis(methylsulfanyl)-N-pyridin-3-ylsulfanylmethanimine (PubChem CID 169235462) has the molecular formula C8H10N2S3 and a molecular weight of 230.38 g/mol. Its IUPAC name is 1,1-bis(methylsulfanyl)-N-pyridin-3-ylsulfanylmethanimine.

Molecular Properties

Compound Name1,1-bis(methylsulfanyl)-N-pyridin-3-ylsulfanylmethanimine
PubChem CID169235462
Molecular FormulaC8H10N2S3
Molecular Weight230.38 g/mol
Exact Mass230.00
IUPAC Name1,1-bis(methylsulfanyl)-N-pyridin-3-ylsulfanylmethanimine
SMILESCSC(=NSc1cccnc1)SC
InChIInChI=1S/C8H10N2S3/c1-11-8(12-2)10-13-7-4-3-5-9-6-7/h3-6H,1-2H3
InChIKeyHNVUJHARQVLYIG-UHFFFAOYSA-N
XLogP3.17
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
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

pyridin-3-yl N'-methylcarbamimidothioate;dihydrochloride
CID 158425957
S-pyridin-3-yl propanethioate
CID 56621142
methyl N,N'-dimethyl-N-pyridin-3-ylcarbamimidothioate
CID 45116234
N-pyridin-3-ylsulfanylpropan-2-amine
CID 145049132
S-pyridin-3-yl (NE)-N-[1-(dimethylamino)ethylidene]carbamothioate
CID 19871285
[phosphono(pyridin-3-ylsulfanyl)methyl]phosphonic acid
CID 15170606
3-(azetidin-1-ylsulfanyl)pyridine;ethane
CID 171795353
acetic acid;3-(2-methylpropylsulfanyl)pyridine
CID 174761350
methyl-dimethylidene-pyridin-3-yl-λ6-sulfane
CID 163825956
hydrogen peroxide;pyridin-3-amine
CID 87884226
4-pyridin-3-ylsulfanylbenzoic acid
CID 67179275
methyl N'-[(Z)-pyridin-3-ylmethylideneamino]carbamimidothioate
CID 6850946

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(methylsulfanyl)-N-pyridin-3-ylsulfanylmethanimine?
The IUPAC name of 1,1-bis(methylsulfanyl)-N-pyridin-3-ylsulfanylmethanimine (CID 169235462) is 1,1-bis(methylsulfanyl)-N-pyridin-3-ylsulfanylmethanimine.
What is the SMILES notation for 1,1-bis(methylsulfanyl)-N-pyridin-3-ylsulfanylmethanimine?
The canonical SMILES for 1,1-bis(methylsulfanyl)-N-pyridin-3-ylsulfanylmethanimine is CSC(=NSc1cccnc1)SC.
What is the InChIKey of 1,1-bis(methylsulfanyl)-N-pyridin-3-ylsulfanylmethanimine?
The InChIKey is HNVUJHARQVLYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S3/c1-11-8(12-2)10-13-7-4-3-5-9-6-7/h3-6H,1-2H3.
What are the key properties of 1,1-bis(methylsulfanyl)-N-pyridin-3-ylsulfanylmethanimine?
1,1-bis(methylsulfanyl)-N-pyridin-3-ylsulfanylmethanimine has a molecular weight of 230.38 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(methylsulfanyl)-N-pyridin-3-ylsulfanylmethanimine is sourced from PubChem (CID 169235462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).