ethane;methane;3-methylthiane-3-carbonitrile

C10H21NS — CID 142565790

IUPACethane;methane;3-methylthiane-3-carbonitrile
SMILESC.CC.CC1(C#N)CCCSC1
InChIInChI=1S/C7H11NS.C2H6.CH4/c1-7(5-8)3-2-4-9-6-7;1-2;/h2-4,6H2,1H3;1-2H3;1H4
InChIKeyVCTLFVAJZSVDMB-UHFFFAOYSA-N
MW187.35 g/mol
LogP3.71
Rot. Bonds

About ethane;methane;3-methylthiane-3-carbonitrile

ethane;methane;3-methylthiane-3-carbonitrile (PubChem CID 142565790) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is ethane;methane;3-methylthiane-3-carbonitrile.

Molecular Properties

Compound Nameethane;methane;3-methylthiane-3-carbonitrile
PubChem CID142565790
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Nameethane;methane;3-methylthiane-3-carbonitrile
SMILESC.CC.CC1(C#N)CCCSC1
InChIInChI=1S/C7H11NS.C2H6.CH4/c1-7(5-8)3-2-4-9-6-7;1-2;/h2-4,6H2,1H3;1-2H3;1H4
InChIKeyVCTLFVAJZSVDMB-UHFFFAOYSA-N
XLogP3.71
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylthiane-4-carbonitrile
CID 67344978
3-(methylamino)thiane-3-carbonitrile
CID 62872578
ethane;1-methylcyclopropane-1-carbonitrile
CID 142227750
3-chlorothiane-3-carbonitrile
CID 62873331
3-propan-2-yloxythiane-3-carbonitrile
CID 130877743
(2R)-2-methylthiolane-2-carbonitrile
CID 97036581
2-methylthiolane-2-carbonitrile
CID 58894061
3-tert-butyl-3-methylthiane
CID 123315525
3-(2-methoxyethylamino)thiane-3-carbonitrile
CID 62872774
3,3-di(propan-2-yl)thiane
CID 59129253
1-(3-fluorothian-3-yl)-N-methylmethanamine
CID 84731546
(7-methyl-3,11,14-trithiabicyclo[5.5.5]heptadecan-1-yl)methanol
CID 100992275

Frequently Asked Questions

What is the IUPAC name of ethane;methane;3-methylthiane-3-carbonitrile?
The IUPAC name of ethane;methane;3-methylthiane-3-carbonitrile (CID 142565790) is ethane;methane;3-methylthiane-3-carbonitrile.
What is the SMILES notation for ethane;methane;3-methylthiane-3-carbonitrile?
The canonical SMILES for ethane;methane;3-methylthiane-3-carbonitrile is C.CC.CC1(C#N)CCCSC1.
What is the InChIKey of ethane;methane;3-methylthiane-3-carbonitrile?
The InChIKey is VCTLFVAJZSVDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS.C2H6.CH4/c1-7(5-8)3-2-4-9-6-7;1-2;/h2-4,6H2,1H3;1-2H3;1H4.
What are the key properties of ethane;methane;3-methylthiane-3-carbonitrile?
ethane;methane;3-methylthiane-3-carbonitrile has a molecular weight of 187.35 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;3-methylthiane-3-carbonitrile is sourced from PubChem (CID 142565790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).