CID 101396635

C9H17N2S2 — CID 101396635

IUPAC—
SMILESC/C(=N\C(C)C)N(C([S])=S)C(C)C
InChIInChI=1S/C9H17N2S2/c1-6(2)10-8(5)11(7(3)4)9(12)13/h6-7H,1-5H3/b10-8+
InChIKeyXSVVJDWYIRUEPW-CSKARUKUSA-N
MW217.38 g/mol
LogP3.01
Rot. Bonds2

About CID 101396635

CID 101396635 (PubChem CID 101396635) has the molecular formula C9H17N2S2 and a molecular weight of 217.38 g/mol.

Molecular Properties

Compound NameCID 101396635
PubChem CID101396635
Molecular FormulaC9H17N2S2
Molecular Weight217.38 g/mol
Exact Mass217.08
IUPAC Name—
SMILESC/C(=N\C(C)C)N(C([S])=S)C(C)C
InChIInChI=1S/C9H17N2S2/c1-6(2)10-8(5)11(7(3)4)9(12)13/h6-7H,1-5H3/b10-8+
InChIKeyXSVVJDWYIRUEPW-CSKARUKUSA-N
XLogP3.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N,N'-diethyl-N-propan-2-ylethanimidamide
CID 20627978
N'-methyl-N,N-di(propan-2-yl)ethanimidamide
CID 89605919
1-[Ethyl(propan-2-yl)amino]ethylidene-dimethylazanium
CID 123856617
N,N-diethyl-N'-propan-2-ylethanimidamide
CID 124009258
N-ethyl-N'-methyl-N-propan-2-ylethanimidamide
CID 135162408
N,N'-dimethyl-N-propan-2-ylethanimidamide;ethane
CID 142573113
ethane;N'-methyl-N,N-di(propan-2-yl)ethanimidamide
CID 143947921
N'-ethyl-N,N-di(propan-2-yl)ethanimidamide
CID 143948007
N'-butan-2-yl-N,N-di(propan-2-yl)ethanimidamide
CID 144392549
N-ethyl-N,N'-di(propan-2-yl)ethanimidamide
CID 147832300
N'-ethyl-N-methyl-N-propan-2-ylethanimidamide
CID 153684255
N-propan-2-yl-N,N'-bis(sulfanylmethyl)ethanimidamide
CID 164812943

Frequently Asked Questions

What is the IUPAC name of CID 101396635?
The IUPAC name of CID 101396635 (CID 101396635) is not available.
What is the SMILES notation for CID 101396635?
The canonical SMILES for CID 101396635 is C/C(=N\C(C)C)N(C([S])=S)C(C)C.
What is the InChIKey of CID 101396635?
The InChIKey is XSVVJDWYIRUEPW-CSKARUKUSA-N. The full InChI is InChI=1S/C9H17N2S2/c1-6(2)10-8(5)11(7(3)4)9(12)13/h6-7H,1-5H3/b10-8+.
What are the key properties of CID 101396635?
CID 101396635 has a molecular weight of 217.38 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101396635 is sourced from PubChem (CID 101396635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).