(3Z,5Z,7Z)-2H-thiocin-2-amine

C7H9NS — CID 139922775

IUPAC(3Z,5Z,7Z)-2H-thiocin-2-amine
SMILESNC1/C=C\C=C/C=C\S1
InChIInChI=1S/C7H9NS/c8-7-5-3-1-2-4-6-9-7/h1-7H,8H2/b2-1-,5-3-,6-4-
InChIKeyNNJYRZOHWQROBA-XCADPSHZSA-N
MW139.22 g/mol
LogP1.64
Rot. Bonds

About (3Z,5Z,7Z)-2H-thiocin-2-amine

(3Z,5Z,7Z)-2H-thiocin-2-amine (PubChem CID 139922775) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is (3Z,5Z,7Z)-2H-thiocin-2-amine.

Molecular Properties

Compound Name(3Z,5Z,7Z)-2H-thiocin-2-amine
PubChem CID139922775
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name(3Z,5Z,7Z)-2H-thiocin-2-amine
SMILESNC1/C=C\C=C/C=C\S1
InChIInChI=1S/C7H9NS/c8-7-5-3-1-2-4-6-9-7/h1-7H,8H2/b2-1-,5-3-,6-4-
InChIKeyNNJYRZOHWQROBA-XCADPSHZSA-N
XLogP1.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Aminothiopyran
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Aminothiopyranthion
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(5Z,7Z)-3,4-dihydro-2H-1,3-thiazocine
CID 23110791
2H-thiopyran-6-ylmethanamine
CID 68500862
2H-thiopyran-2,6-diamine
CID 68503870
3,4-dihydro-2H-1,3-thiazocine
CID 69557103
1-Prop-2-enylsulfanylprop-2-en-1-amine
CID 87173731
1-Ethenylsulfanylprop-2-en-1-amine
CID 87208996
(2Z,4E)-2-methylsulfanylhexa-2,4-dien-1-amine
CID 130187747
(2Z)-2-methylsulfanylpenta-2,4-dien-1-amine
CID 138659001
2-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylethanamine
CID 143675972

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,7Z)-2H-thiocin-2-amine?
The IUPAC name of (3Z,5Z,7Z)-2H-thiocin-2-amine (CID 139922775) is (3Z,5Z,7Z)-2H-thiocin-2-amine.
What is the SMILES notation for (3Z,5Z,7Z)-2H-thiocin-2-amine?
The canonical SMILES for (3Z,5Z,7Z)-2H-thiocin-2-amine is NC1/C=C\C=C/C=C\S1.
What is the InChIKey of (3Z,5Z,7Z)-2H-thiocin-2-amine?
The InChIKey is NNJYRZOHWQROBA-XCADPSHZSA-N. The full InChI is InChI=1S/C7H9NS/c8-7-5-3-1-2-4-6-9-7/h1-7H,8H2/b2-1-,5-3-,6-4-.
What are the key properties of (3Z,5Z,7Z)-2H-thiocin-2-amine?
(3Z,5Z,7Z)-2H-thiocin-2-amine has a molecular weight of 139.22 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7Z)-2H-thiocin-2-amine is sourced from PubChem (CID 139922775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).