2-Phenylethanethioamide - CAS 645-54-5

Catalog:	BB053551
Product Name:	2-Phenylethanethioamide
CAS:	645-54-5
Synonyms:	Benzeneethanethioamide; 2-Phenylthioacetamide; Phenylthioacetamide

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-phenylethanethioamide
Molecular Weight:	151.23
Molecular Formula:	C8H9NS
Canonical SMILES:	C1=CC=C(C=C1)CC(=S)N
InChI:	InChI=1S/C8H9NS/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
InChI Key:	CJXBHFANXQMZBF-UHFFFAOYSA-N
Boiling Point:	277.3±33.0°C
Melting Point:	96-98°C
Purity:	98%
Density:	1.155±0.06 g/cm3
Appearance:	White to Orange to Green Powder to Crystal

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Amines and Anilines

[556-90-1]
Pseudothiohydantoin
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[17583-40-3]
2-(Methylamino)benzonitrile
[42150-24-3]
2-(4-Pyrazolyl)ethylamine

Sulfur Compounds

[6633-90-5]
1,4-Butanedithiol diacetate
[85-47-2]
1-Naphthalenesulfonic acid
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[1778-09-2]
4'-(Methylthio)acetophenone
[21124-33-4]
Ammonium diethyldithiocarbamate

GHS Hazard Statement:	H302+H312+H332 (14.29%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]; H302 (85.71%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (14.29%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (14.29%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (85.71%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.04557046
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	151.04557046
Rotatable Bond Count:	2
Topological Polar Surface Area:	58.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1