Thian-3-ylmethanamine

CAT: 0926-UEC14595-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-UEC14595-01Size:50 mg

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CAS Number

1369145-95-8

MDL Number

MFCD22071346

Smiles

C1CC (CSC1) CN

Molecular Formula

C6H13NS

Molecular Weight

131.24 g/mol

Controlled

Chemical Information

(Thian-3-yl)methanamine

CAS Number	1369145-95-8
PubChem CID	21522743
IUPAC Name	thian-3-ylmethanamine
Molecular Formula	C6H13NS
Molecular Weight	131.24
XLogP	0.7
Topological Polar Surface Area	51.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	65

SMILES

C1CC(CSC1)CN

InChI

InChI=1S/C6H13NS/c7-4-6-2-1-3-8-5-6/h6H,1-5,7H2

InChIKey

OOPUJNBROMPJLB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1369145-95-8

CID: 21522743

Formula: C6H13NS

MW: 131.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	131.24
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	131.07687059
Monoisotopic Mass	131.07687059
Topological Polar Surface Area	51.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	65.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
IMB68873-01	Thian-2-ylmethanamine
RBB26317-01	Thian-4-ylmethanamine
VXB35186-01	Thian-3-ylmethanol
YAA09921	Piperidin-3-ylmethanamine
DEA74233-01	Thiomorpholin-3-ylmethanamine
DXC60959-01	Thian-3-amine hydrochloride
QEA13284-01	Thiophen-3-ylmethanamine hydrochloride
HWB07633-01	Morpholin-3-ylmethanamine dihydrochloride
VID41052-01	(Thian-3-yl) hydrazine dihydrochloride
RAC69214	1H-Indol-3-ylmethanamine hydrochloride